Found 88 hits of ec50 data for polymerid = 49000904 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246337
(CHEMBL4084894)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C174H300N56O49/c1-26-93(20)136(228-165(274)126(80-232)224-141(250)101(39-28-32-56-176)200-129(236)78-195-140(249)100(38-27-31-55-175)201-161(270)123(73-133(243)244)223-160(269)121(71-98-76-190-82-197-98)220-158(267)118(68-90(14)15)216-155(264)114(64-86(6)7)213-148(257)107(45-50-127(180)234)207-159(268)120(70-97-75-189-81-196-97)219-151(260)111(49-54-132(241)242)209-164(273)125(79-231)225-167(276)135(92(18)19)227-139(248)94(21)179)168(277)210-108(46-51-128(181)235)149(258)222-124(74-134(245)246)162(271)217-112(62-84(2)3)152(261)205-105(44-37-61-194-173(187)188)143(252)203-103(42-35-59-192-171(183)184)142(251)204-104(43-36-60-193-172(185)186)144(253)206-110(48-53-131(239)240)150(259)214-115(65-87(8)9)154(263)215-113(63-85(4)5)153(262)208-109(47-52-130(237)238)147(256)202-102(40-29-33-57-177)145(254)211-116(66-88(10)11)156(265)218-119(69-91(16)17)166(275)230-174(24,25)170(279)226-106(41-30-34-58-178)146(255)212-117(67-89(12)13)157(266)221-122(72-99-77-191-83-198-99)163(272)229-137(96(23)233)169(278)199-95(22)138(182)247/h75-77,81-96,100-126,135-137,231-233H,26-74,78-80,175-179H2,1-25H3,(H2,180,234)(H2,181,235)(H2,182,247)(H,189,196)(H,190,197)(H,191,198)(H,195,249)(H,199,278)(H,200,236)(H,201,270)(H,202,256)(H,203,252)(H,204,251)(H,205,261)(H,206,253)(H,207,268)(H,208,262)(H,209,273)(H,210,277)(H,211,254)(H,212,255)(H,213,257)(H,214,259)(H,215,263)(H,216,264)(H,217,271)(H,218,265)(H,219,260)(H,220,267)(H,221,266)(H,222,258)(H,223,269)(H,224,250)(H,225,276)(H,226,279)(H,227,248)(H,228,274)(H,229,272)(H,230,275)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t93-,94-,95-,96+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,135-,136-,137-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246318
(CHEMBL4098420)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H294N56O50S2/c1-21-97(18)148(238-162(270)115(48-53-143(253)254)214-176(284)133(85-241)234-177(285)145(94(12)13)235-139(247)70-100(186)83-239)180(288)218-112(45-50-135(188)243)157(265)222-121(65-91(6)7)165(273)215-117(55-62-290-20)160(268)227-126(72-102-80-198-87-205-102)169(277)230-129(75-137(190)245)172(280)220-119(63-89(2)3)150(258)203-82-140(248)207-106(39-27-30-56-183)151(259)226-125(71-101-79-197-86-204-101)168(276)224-123(67-93(10)11)166(274)228-130(76-138(191)246)173(281)233-132(84-240)175(283)216-116(54-61-289-19)159(267)212-113(46-51-141(249)250)155(263)210-110(43-34-60-201-182(195)196)161(269)236-146(95(14)15)178(286)217-114(47-52-142(251)252)158(266)225-124(69-99-78-202-105-38-26-25-37-104(99)105)167(275)223-122(66-92(8)9)163(271)211-109(42-33-59-200-181(193)194)153(261)208-107(40-28-31-57-184)152(260)209-108(41-29-32-58-185)154(262)221-120(64-90(4)5)164(272)213-111(44-49-134(187)242)156(264)231-131(77-144(255)256)174(282)237-147(96(16)17)179(287)232-127(73-103-81-199-88-206-103)170(278)229-128(74-136(189)244)171(279)219-118(149(192)257)68-98-35-23-22-24-36-98/h22-26,35-38,78-81,86-97,100,106-133,145-148,202,239-241H,21,27-34,39-77,82-85,183-186H2,1-20H3,(H2,187,242)(H2,188,243)(H2,189,244)(H2,190,245)(H2,191,246)(H2,192,257)(H,197,204)(H,198,205)(H,199,206)(H,203,258)(H,207,248)(H,208,261)(H,209,260)(H,210,263)(H,211,271)(H,212,267)(H,213,272)(H,214,284)(H,215,273)(H,216,283)(H,217,286)(H,218,288)(H,219,279)(H,220,280)(H,221,262)(H,222,265)(H,223,275)(H,224,276)(H,225,266)(H,226,259)(H,227,268)(H,228,274)(H,229,278)(H,230,277)(H,231,264)(H,232,287)(H,233,281)(H,234,285)(H,235,247)(H,236,269)(H,237,282)(H,238,270)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,193,194,200)(H4,195,196,201)/t97-,100+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,145-,146-,147-,148-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269975
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Har-Ala-Ly...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,98.98,wD:16.21,93.94,72.72,55.55,107.107,4.4,44.44,29.34,(18.87,-52.12,;17.53,-51.38,;17.51,-49.85,;16.17,-49.1,;16.14,-47.57,;14.85,-46.76,;13.48,-47.48,;13.49,-49.03,;12.21,-46.62,;12.21,-45.07,;13.55,-44.3,;13.55,-42.76,;14.87,-45.07,;10.99,-47.51,;9.63,-46.79,;9.63,-45.24,;8.36,-47.66,;8.36,-49.2,;9.69,-49.97,;9.69,-51.5,;8.36,-52.28,;11.02,-52.28,;7.15,-46.77,;5.78,-47.5,;5.79,-49.05,;4.5,-46.63,;3.29,-47.53,;1.94,-46.81,;1.94,-45.26,;.66,-47.67,;.66,-49.22,;1.99,-49.99,;1.99,-51.52,;.67,-52.3,;3.33,-52.3,;-.55,-46.78,;-1.91,-47.51,;-1.9,-49.05,;-3.18,-46.64,;-2.37,-45.34,;-4.02,-47.92,;-4.49,-45.89,;-4.52,-44.35,;-3.18,-43.6,;-5.92,-43.66,;-5.92,-42.16,;-7.31,-41.5,;-8.55,-42.43,;-7.31,-39.97,;-5.78,-39.96,;-8.85,-39.99,;-7.34,-38.44,;-7.26,-44.43,;-7.27,-45.97,;-8.58,-43.65,;4.5,-45.09,;5.84,-44.32,;3.17,-44.32,;3.16,-42.77,;17.33,-46.78,;17.34,-45.23,;18.7,-47.51,;19.91,-46.62,;19.91,-45.08,;21.25,-44.3,;22.72,-44.8,;23.63,-43.56,;22.74,-42.3,;21.26,-42.76,;21.19,-47.49,;21.2,-49.03,;22.55,-46.76,;23.77,-47.65,;23.77,-49.19,;25.09,-49.97,;25.1,-51.5,;23.77,-52.27,;26.44,-52.27,;25.05,-46.78,;25.05,-45.24,;26.42,-47.51,;27.63,-46.62,;27.63,-45.08,;28.97,-44.31,;28.97,-42.77,;30.3,-42,;30.3,-40.47,;31.62,-39.7,;31.62,-38.17,;32.95,-40.47,;28.9,-47.49,;28.91,-49.04,;30.27,-46.77,;31.47,-47.66,;31.47,-49.2,;32.75,-46.79,;32.76,-45.24,;34.12,-47.52,;35.34,-46.63,;35.34,-45.09,;36.67,-44.31,;36.67,-42.77,;38,-42.01,;38,-40.47,;36.62,-47.5,;36.62,-49.04,;37.98,-46.76,;39.32,-47.49,;39.35,-49.03,;40.69,-49.76,;40.72,-51.29,;42.06,-52.03,;43.37,-51.24,;44.71,-51.97,;43.33,-49.7,;41.99,-48.97,;40.63,-46.7,;41.97,-47.43,;40.6,-45.17,)| Show InChI InChI=1S/C77H129N23O19/c1-13-15-20-47(91-69(114)54(35-40(3)4)95-67(112)51(28-31-57(80)103)93-71(116)60(42(7)14-2)98-68(113)52(29-32-58(104)105)97-74(119)77(11,12)100-72(117)59(41(5)6)99-73(118)76(9,10)84)65(110)96-55(37-45-38-85-39-87-45)70(115)92-50(27-30-56(79)102)66(111)90-48(22-17-19-34-86-75(82)83)63(108)88-43(8)62(107)89-49(21-16-18-33-78)64(109)94-53(61(81)106)36-44-23-25-46(101)26-24-44/h23-26,38-43,47-55,59-60,101H,13-22,27-37,78,84H2,1-12H3,(H2,79,102)(H2,80,103)(H2,81,106)(H,85,87)(H,88,108)(H,89,107)(H,90,111)(H,91,114)(H,92,115)(H,93,116)(H,94,109)(H,95,112)(H,96,110)(H,97,119)(H,98,113)(H,99,118)(H,100,117)(H,104,105)(H4,82,83,86)/t42-,43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-,60-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in HEK293 cells assessed as induction of luciferase activity by CRE-luciferase reporter ... |
Proc Natl Acad Sci U S A 104: 6846-51 (2007)
Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246319
(CHEMBL4080397)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C181H292N56O50S2/c1-21-96(18)146(237-161(269)114(48-53-141(251)252)213-175(283)132(84-240)233-178(286)143(93(12)13)234-148(256)103(185)82-238)179(287)217-111(45-50-134(187)242)156(264)221-120(65-90(6)7)164(272)214-116(55-62-289-20)159(267)226-125(71-100-79-197-86-204-100)168(276)229-128(74-136(189)244)171(279)219-118(63-88(2)3)149(257)202-81-138(246)206-105(39-27-30-56-182)150(258)225-124(70-99-78-196-85-203-99)167(275)223-122(67-92(10)11)165(273)227-129(75-137(190)245)172(280)232-131(83-239)174(282)215-115(54-61-288-19)158(266)211-112(46-51-139(247)248)154(262)209-109(43-34-60-200-181(194)195)160(268)235-144(94(14)15)176(284)216-113(47-52-140(249)250)157(265)224-123(69-98-77-201-104-38-26-25-37-102(98)104)166(274)222-121(66-91(8)9)162(270)210-108(42-33-59-199-180(192)193)152(260)207-106(40-28-31-57-183)151(259)208-107(41-29-32-58-184)153(261)220-119(64-89(4)5)163(271)212-110(44-49-133(186)241)155(263)230-130(76-142(253)254)173(281)236-145(95(16)17)177(285)231-126(72-101-80-198-87-205-101)169(277)228-127(73-135(188)243)170(278)218-117(147(191)255)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,201,238-240H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,241)(H2,187,242)(H2,188,243)(H2,189,244)(H2,190,245)(H2,191,255)(H,196,203)(H,197,204)(H,198,205)(H,202,257)(H,206,246)(H,207,260)(H,208,259)(H,209,262)(H,210,270)(H,211,266)(H,212,271)(H,213,283)(H,214,272)(H,215,282)(H,216,284)(H,217,287)(H,218,278)(H,219,279)(H,220,261)(H,221,264)(H,222,274)(H,223,275)(H,224,265)(H,225,258)(H,226,267)(H,227,273)(H,228,277)(H,229,276)(H,230,263)(H,231,285)(H,232,280)(H,233,286)(H,234,256)(H,235,268)(H,236,281)(H,237,269)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,192,193,199)(H4,194,195,200)/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246362
(CHEMBL4060034)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C180H288N58O47/c1-23-94(16)141(174(282)208-99(21)147(255)210-116(51-55-137(247)248)156(264)235-143(96(18)25-3)176(284)231-128(72-107-79-197-87-206-107)170(278)238-144(100(22)241)177(285)207-98(20)145(186)253)236-169(277)121(65-92(12)13)222-164(272)125(69-104-76-194-84-203-104)228-165(273)126(70-105-77-195-85-204-105)226-160(268)120(64-91(10)11)220-161(269)123(67-102-41-30-27-31-42-102)224-162(270)122(66-101-39-28-26-29-40-101)223-152(260)112(47-38-60-200-180(191)192)213-150(258)110(45-36-58-198-178(187)188)212-151(259)111(46-37-59-199-179(189)190)214-157(265)117(61-88(4)5)221-168(276)130(74-139(251)252)229-154(262)114(49-53-134(185)243)217-175(283)142(95(17)24-2)237-172(280)132(82-240)232-149(257)109(44-33-35-57-182)209-135(244)80-201-148(256)108(43-32-34-56-181)211-167(275)129(73-138(249)250)230-166(274)127(71-106-78-196-86-205-106)227-159(267)119(63-90(8)9)219-158(266)118(62-89(6)7)218-153(261)113(48-52-133(184)242)215-163(271)124(68-103-75-193-83-202-103)225-155(263)115(50-54-136(245)246)216-171(279)131(81-239)233-173(281)140(93(14)15)234-146(254)97(19)183/h26-31,39-42,75-79,83-100,108-132,140-144,239-241H,23-25,32-38,43-74,80-82,181-183H2,1-22H3,(H2,184,242)(H2,185,243)(H2,186,253)(H,193,202)(H,194,203)(H,195,204)(H,196,205)(H,197,206)(H,201,256)(H,207,285)(H,208,282)(H,209,244)(H,210,255)(H,211,275)(H,212,259)(H,213,258)(H,214,265)(H,215,271)(H,216,279)(H,217,283)(H,218,261)(H,219,266)(H,220,269)(H,221,276)(H,222,272)(H,223,260)(H,224,270)(H,225,263)(H,226,268)(H,227,267)(H,228,273)(H,229,262)(H,230,274)(H,231,284)(H,232,257)(H,233,281)(H,234,254)(H,235,264)(H,236,277)(H,237,280)(H,238,278)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H4,187,188,198)(H4,189,190,199)(H4,191,192,200)/t94-,95-,96-,97-,98-,99-,100+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,140-,141-,142-,143-,144-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246387
(CHEMBL4090619)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C181H290N56O50S2/c1-19-95(16)146(237-162(270)115(49-54-141(251)252)215-175(283)132(84-240)233-178(286)143(92(10)11)234-149(257)103(185)82-238)179(287)218-112(46-51-134(187)242)155(263)207-105-42-31-37-102(105)148(256)208-116(55-62-288-17)160(268)226-125(71-99-79-197-86-204-99)168(276)229-128(74-136(189)244)171(279)220-119(64-88(2)3)150(258)202-81-138(246)206-106(39-25-28-57-182)151(259)225-124(70-98-78-196-85-203-98)167(275)223-122(67-91(8)9)165(273)227-129(75-137(190)245)172(280)232-131(83-239)174(282)216-117(56-63-289-18)159(267)213-113(47-52-139(247)248)156(264)211-110(44-33-61-200-181(194)195)161(269)235-144(93(12)13)176(284)217-114(48-53-140(249)250)158(266)224-123(69-97-77-201-104-38-24-23-36-101(97)104)166(274)222-121(66-90(6)7)163(271)212-109(43-32-60-199-180(192)193)153(261)209-107(40-26-29-58-183)152(260)210-108(41-27-30-59-184)154(262)221-120(65-89(4)5)164(272)214-111(45-50-133(186)241)157(265)230-130(76-142(253)254)173(281)236-145(94(14)15)177(285)231-126(72-100-80-198-87-205-100)169(277)228-127(73-135(188)243)170(278)219-118(147(191)255)68-96-34-21-20-22-35-96/h20-24,34-36,38,77-80,85-95,102-103,105-132,143-146,201,238-240H,19,25-33,37,39-76,81-84,182-185H2,1-18H3,(H2,186,241)(H2,187,242)(H2,188,243)(H2,189,244)(H2,190,245)(H2,191,255)(H,196,203)(H,197,204)(H,198,205)(H,202,258)(H,206,246)(H,207,263)(H,208,256)(H,209,261)(H,210,260)(H,211,264)(H,212,271)(H,213,267)(H,214,272)(H,215,283)(H,216,282)(H,217,284)(H,218,287)(H,219,278)(H,220,279)(H,221,262)(H,222,274)(H,223,275)(H,224,266)(H,225,259)(H,226,268)(H,227,273)(H,228,277)(H,229,276)(H,230,265)(H,231,285)(H,232,280)(H,233,286)(H,234,257)(H,235,269)(H,236,281)(H,237,270)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,192,193,199)(H4,194,195,200)/t95-,102-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246250
(CHEMBL4106296)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C192H307N55O50S2/c1-21-105(18)163(247-174(281)129(52-57-158(267)268)230-186(293)143(94-250)243-189(296)162(104(16)17)245-164(271)119(196)92-248)190(297)232-128(50-54-145(198)252)171(278)235-134(70-100(8)9)179(286)231-130(59-66-299-20)172(279)237-137(75-115-89-207-95-214-115)181(288)240-140(85-148(201)255)183(290)233-131(67-97(2)3)165(272)213-91-155(262)224-122(44-30-33-61-194)166(273)220-113(73-107-87-211-120-42-27-25-40-117(107)120)81-153(260)225-132(68-98(4)5)176(283)239-141(86-149(202)256)184(291)242-142(93-249)185(292)217-111(58-65-298-19)80-151(258)223-126(51-56-157(265)266)170(277)227-125(47-36-64-210-192(205)206)173(280)246-161(103(14)15)187(294)218-110(48-55-156(263)264)79-152(259)226-136(74-108-88-212-121-43-28-26-41-118(108)121)180(287)236-135(71-101(10)11)177(284)228-124(46-35-63-209-191(203)204)167(274)216-109(39-29-32-60-193)78-150(257)222-123(45-31-34-62-195)169(276)234-133(69-99(6)7)178(285)229-127(49-53-144(197)251)168(275)221-114(83-159(269)270)82-154(261)244-160(102(12)13)188(295)241-138(76-116-90-208-96-215-116)182(289)238-139(84-147(200)254)175(282)219-112(77-146(199)253)72-106-37-23-22-24-38-106/h22-28,37-38,40-43,87-90,95-105,109-114,119,122-143,160-163,211-212,248-250H,21,29-36,39,44-86,91-94,193-196H2,1-20H3,(H2,197,251)(H2,198,252)(H2,199,253)(H2,200,254)(H2,201,255)(H2,202,256)(H,207,214)(H,208,215)(H,213,272)(H,216,274)(H,217,292)(H,218,294)(H,219,282)(H,220,273)(H,221,275)(H,222,257)(H,223,258)(H,224,262)(H,225,260)(H,226,259)(H,227,277)(H,228,284)(H,229,285)(H,230,293)(H,231,286)(H,232,297)(H,233,290)(H,234,276)(H,235,278)(H,236,287)(H,237,279)(H,238,289)(H,239,283)(H,240,288)(H,241,295)(H,242,291)(H,243,296)(H,244,261)(H,245,271)(H,246,280)(H,247,281)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H4,203,204,209)(H4,205,206,210)/t105-,109-,110-,111-,112-,113-,114+,119-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,160-,161-,162-,163-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at PTH1 receptor (unknown origin) assessed as induction of cAMP |
J Med Chem 61: 9004-9029 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00378
BindingDB Entry DOI: 10.7270/Q2N301BF |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246270
(CHEMBL4088173)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C184H294N56O49S2/c1-19-97(16)149(240-165(272)118(52-57-144(253)254)218-178(285)135(86-242)236-181(288)146(94(10)11)237-151(258)104-38-31-40-106(104)188)182(289)221-115(49-54-137(190)244)158(265)210-108-45-32-39-105(108)152(259)211-119(58-65-290-17)163(270)229-128(74-101-82-200-88-207-101)171(278)232-131(77-139(192)246)174(281)223-122(67-90(2)3)153(260)205-84-141(248)209-109(42-25-28-60-185)154(261)228-127(73-100-81-199-87-206-100)170(277)226-125(70-93(8)9)168(275)230-132(78-140(193)247)175(282)235-134(85-241)177(284)219-120(59-66-291-18)162(269)216-116(50-55-142(249)250)159(266)214-113(47-34-64-203-184(197)198)164(271)238-147(95(12)13)179(286)220-117(51-56-143(251)252)161(268)227-126(72-99-80-204-107-41-24-23-37-103(99)107)169(276)225-124(69-92(6)7)166(273)215-112(46-33-63-202-183(195)196)156(263)212-110(43-26-29-61-186)155(262)213-111(44-27-30-62-187)157(264)224-123(68-91(4)5)167(274)217-114(48-53-136(189)243)160(267)233-133(79-145(255)256)176(283)239-148(96(14)15)180(287)234-129(75-102-83-201-89-208-102)172(279)231-130(76-138(191)245)173(280)222-121(150(194)257)71-98-35-21-20-22-36-98/h20-24,35-37,41,80-83,87-97,104-106,108-135,146-149,204,241-242H,19,25-34,38-40,42-79,84-86,185-188H2,1-18H3,(H2,189,243)(H2,190,244)(H2,191,245)(H2,192,246)(H2,193,247)(H2,194,257)(H,199,206)(H,200,207)(H,201,208)(H,205,260)(H,209,248)(H,210,265)(H,211,259)(H,212,263)(H,213,262)(H,214,266)(H,215,273)(H,216,269)(H,217,274)(H,218,285)(H,219,284)(H,220,286)(H,221,289)(H,222,280)(H,223,281)(H,224,264)(H,225,276)(H,226,277)(H,227,268)(H,228,261)(H,229,270)(H,230,275)(H,231,279)(H,232,278)(H,233,267)(H,234,287)(H,235,282)(H,236,288)(H,237,258)(H,238,271)(H,239,283)(H,240,272)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,195,196,202)(H4,197,198,203)/t97-,104-,105-,106-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,146-,147-,148-,149-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269976
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)| Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in HEK293 cells assessed as induction of luciferase activity by CRE-luciferase reporter ... |
Proc Natl Acad Sci U S A 104: 6846-51 (2007)
Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246293
(CHEMBL4061182)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C184H296N56O49S2/c1-21-98(18)149(240-164(271)117(51-56-144(253)254)216-178(285)135(86-242)236-181(288)146(95(12)13)237-151(258)105-39-33-40-106(105)188)182(289)220-114(48-53-137(190)244)159(266)224-123(68-92(6)7)167(274)217-119(58-65-291-20)162(269)229-128(74-102-82-200-88-207-102)171(278)232-131(77-139(192)246)174(281)222-121(66-90(2)3)152(259)205-84-141(248)209-108(42-27-30-59-185)153(260)228-127(73-101-81-199-87-206-101)170(277)226-125(70-94(10)11)168(275)230-132(78-140(193)247)175(282)235-134(85-241)177(284)218-118(57-64-290-19)161(268)214-115(49-54-142(249)250)157(264)212-112(46-35-63-203-184(197)198)163(270)238-147(96(14)15)179(286)219-116(50-55-143(251)252)160(267)227-126(72-100-80-204-107-41-26-25-38-104(100)107)169(276)225-124(69-93(8)9)165(272)213-111(45-34-62-202-183(195)196)155(262)210-109(43-28-31-60-186)154(261)211-110(44-29-32-61-187)156(263)223-122(67-91(4)5)166(273)215-113(47-52-136(189)243)158(265)233-133(79-145(255)256)176(283)239-148(97(16)17)180(287)234-129(75-103-83-201-89-208-103)172(279)231-130(76-138(191)245)173(280)221-120(150(194)257)71-99-36-23-22-24-37-99/h22-26,36-38,41,80-83,87-98,105-106,108-135,146-149,204,241-242H,21,27-35,39-40,42-79,84-86,185-188H2,1-20H3,(H2,189,243)(H2,190,244)(H2,191,245)(H2,192,246)(H2,193,247)(H2,194,257)(H,199,206)(H,200,207)(H,201,208)(H,205,259)(H,209,248)(H,210,262)(H,211,261)(H,212,264)(H,213,272)(H,214,268)(H,215,273)(H,216,285)(H,217,274)(H,218,284)(H,219,286)(H,220,289)(H,221,280)(H,222,281)(H,223,263)(H,224,266)(H,225,276)(H,226,277)(H,227,267)(H,228,260)(H,229,269)(H,230,275)(H,231,279)(H,232,278)(H,233,265)(H,234,287)(H,235,282)(H,236,288)(H,237,258)(H,238,270)(H,239,283)(H,240,271)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,195,196,202)(H4,197,198,203)/t98-,105-,106-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,146-,147-,148-,149-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246291
(CHEMBL4098344)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C181H290N56O50S2/c1-88(2)63-119(220-172(280)129(74-137(189)244)230-169(277)126(71-99-79-197-86-204-99)227-161(269)117(55-62-289-18)216-165(273)121(65-90(5)6)222-157(265)111(44-49-134(186)241)208-148(256)102-36-30-41-105(102)207-155(263)113(46-51-140(247)248)215-176(284)133(84-240)234-179(287)144(93(11)12)235-149(257)103(185)82-238)150(258)202-81-139(246)206-106(38-24-27-56-182)151(259)226-125(70-98-78-196-85-203-98)168(276)224-123(67-92(9)10)166(274)228-130(75-138(190)245)173(281)233-132(83-239)175(283)217-116(54-61-288-17)160(268)213-114(47-52-141(249)250)156(264)211-110(43-32-60-200-181(194)195)162(270)236-145(94(13)14)177(285)218-115(48-53-142(251)252)159(267)225-124(69-97-77-201-104-37-23-22-35-101(97)104)167(275)223-122(66-91(7)8)163(271)212-109(42-31-59-199-180(192)193)153(261)209-107(39-25-28-57-183)152(260)210-108(40-26-29-58-184)154(262)221-120(64-89(3)4)164(272)214-112(45-50-135(187)242)158(266)231-131(76-143(253)254)174(282)237-146(95(15)16)178(286)232-127(72-100-80-198-87-205-100)170(278)229-128(73-136(188)243)171(279)219-118(147(191)255)68-96-33-20-19-21-34-96/h19-23,33-35,37,77-80,85-95,102-103,105-133,144-146,201,238-240H,24-32,36,38-76,81-84,182-185H2,1-18H3,(H2,186,241)(H2,187,242)(H2,188,243)(H2,189,244)(H2,190,245)(H2,191,255)(H,196,203)(H,197,204)(H,198,205)(H,202,258)(H,206,246)(H,207,263)(H,208,256)(H,209,261)(H,210,260)(H,211,264)(H,212,271)(H,213,268)(H,214,272)(H,215,284)(H,216,273)(H,217,283)(H,218,285)(H,219,279)(H,220,280)(H,221,262)(H,222,265)(H,223,275)(H,224,276)(H,225,267)(H,226,259)(H,227,269)(H,228,274)(H,229,278)(H,230,277)(H,231,266)(H,232,286)(H,233,281)(H,234,287)(H,235,257)(H,236,270)(H,237,282)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,192,193,199)(H4,194,195,200)/t102-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,144-,145-,146-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246250
(CHEMBL4106296)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C192H307N55O50S2/c1-21-105(18)163(247-174(281)129(52-57-158(267)268)230-186(293)143(94-250)243-189(296)162(104(16)17)245-164(271)119(196)92-248)190(297)232-128(50-54-145(198)252)171(278)235-134(70-100(8)9)179(286)231-130(59-66-299-20)172(279)237-137(75-115-89-207-95-214-115)181(288)240-140(85-148(201)255)183(290)233-131(67-97(2)3)165(272)213-91-155(262)224-122(44-30-33-61-194)166(273)220-113(73-107-87-211-120-42-27-25-40-117(107)120)81-153(260)225-132(68-98(4)5)176(283)239-141(86-149(202)256)184(291)242-142(93-249)185(292)217-111(58-65-298-19)80-151(258)223-126(51-56-157(265)266)170(277)227-125(47-36-64-210-192(205)206)173(280)246-161(103(14)15)187(294)218-110(48-55-156(263)264)79-152(259)226-136(74-108-88-212-121-43-28-26-41-118(108)121)180(287)236-135(71-101(10)11)177(284)228-124(46-35-63-209-191(203)204)167(274)216-109(39-29-32-60-193)78-150(257)222-123(45-31-34-62-195)169(276)234-133(69-99(6)7)178(285)229-127(49-53-144(197)251)168(275)221-114(83-159(269)270)82-154(261)244-160(102(12)13)188(295)241-138(76-116-90-208-96-215-116)182(289)238-139(84-147(200)254)175(282)219-112(77-146(199)253)72-106-37-23-22-24-38-106/h22-28,37-38,40-43,87-90,95-105,109-114,119,122-143,160-163,211-212,248-250H,21,29-36,39,44-86,91-94,193-196H2,1-20H3,(H2,197,251)(H2,198,252)(H2,199,253)(H2,200,254)(H2,201,255)(H2,202,256)(H,207,214)(H,208,215)(H,213,272)(H,216,274)(H,217,292)(H,218,294)(H,219,282)(H,220,273)(H,221,275)(H,222,257)(H,223,258)(H,224,262)(H,225,260)(H,226,259)(H,227,277)(H,228,284)(H,229,285)(H,230,293)(H,231,286)(H,232,297)(H,233,290)(H,234,276)(H,235,278)(H,236,287)(H,237,279)(H,238,289)(H,239,283)(H,240,288)(H,241,295)(H,242,291)(H,243,296)(H,244,261)(H,245,271)(H,246,280)(H,247,281)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H4,203,204,209)(H4,205,206,210)/t105-,109-,110-,111-,112-,113-,114+,119-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,160-,161-,162-,163-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246419
(CHEMBL4074628)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C179H300N56O46/c1-23-93(18)141(233-147(253)101-37-30-43-107(101)205-151(257)110(40-25-27-57-181)204-135(240)80-200-150(256)109(39-24-26-56-180)209-168(274)129(72-139(247)248)227-166(272)126(69-97-74-195-83-202-97)224-164(270)123(66-90(12)13)221-163(269)122(65-89(10)11)219-155(261)114(48-52-133(183)238)212-165(271)125(68-96-73-194-82-201-96)223-157(263)116(50-54-136(241)242)214-170(276)132(81-236)230-172(278)140(92(16)17)232-144(250)94(19)182)173(279)215-115(49-53-134(184)239)156(262)226-128(71-138(245)246)167(273)206-106-42-29-36-100(106)145(251)208-111(45-32-58-197-176(186)187)152(258)210-112(46-33-59-198-177(188)189)153(259)211-113(47-34-60-199-178(190)191)154(260)228-130-78-192-76-103(130)148(254)217-119(62-86(4)5)160(266)220-121(64-88(8)9)159(265)213-117(51-55-137(243)244)158(264)229-131-79-193-77-104(131)149(255)218-120(63-87(6)7)161(267)222-124(67-91(14)15)171(277)235-179(21,22)175(281)231-108-44-31-38-102(108)146(252)216-118(61-85(2)3)162(268)225-127(70-98-75-196-84-203-98)169(275)234-142(95(20)237)174(280)207-105-41-28-35-99(105)143(185)249/h73-75,82-95,99-132,140-142,192-193,236-237H,23-72,76-81,180-182H2,1-22H3,(H2,183,238)(H2,184,239)(H2,185,249)(H,194,201)(H,195,202)(H,196,203)(H,200,256)(H,204,240)(H,205,257)(H,206,273)(H,207,280)(H,208,251)(H,209,274)(H,210,258)(H,211,259)(H,212,271)(H,213,265)(H,214,276)(H,215,279)(H,216,252)(H,217,254)(H,218,255)(H,219,261)(H,220,266)(H,221,269)(H,222,267)(H,223,263)(H,224,270)(H,225,268)(H,226,262)(H,227,272)(H,228,260)(H,229,264)(H,230,278)(H,231,281)(H,232,250)(H,233,253)(H,234,275)(H,235,277)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H4,186,187,197)(H4,188,189,198)(H4,190,191,199)/t93-,94-,95+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,140-,141-,142-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50331021
((S)-5-((2S,3S)-1-((3S,6S,9S,12S,15S)-6-((1H-imidaz...)Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](COC(=O)CCCCC(=O)OC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC |r,wU:4.3,91.93,29.44,65.72,80.82,16.59,46.47,wD:8.8,33.33,61.63,(17.81,-30.3,;19.11,-31.13,;19.05,-32.67,;20.35,-33.48,;20.3,-35.02,;18.94,-35.74,;17.61,-34.97,;17.61,-33.43,;16.28,-35.74,;16.28,-37.28,;17.61,-38.05,;17.61,-39.58,;18.94,-37.28,;14.94,-34.98,;13.64,-35.79,;13.69,-37.34,;12.27,-35.06,;12.22,-33.52,;13.52,-32.7,;13.47,-31.16,;12.12,-30.43,;14.78,-30.35,;15.36,-28.41,;23.96,-28.06,;25.65,-30.52,;26.98,-31.29,;28.32,-30.53,;26.97,-32.83,;28.3,-33.6,;28.3,-35.14,;26.97,-35.92,;25.64,-35.13,;25.64,-33.58,;24.3,-35.9,;24.3,-37.43,;25.53,-38.37,;26.98,-37.97,;27.85,-39.23,;26.89,-40.45,;25.45,-39.91,;22.97,-35.14,;21.59,-35.84,;21.54,-37.37,;29.63,-35.91,;29.63,-37.44,;30.94,-35.09,;32.27,-35.88,;33.6,-35.13,;33.64,-33.59,;32.33,-32.79,;32.36,-31.26,;31.04,-30.46,;31.11,-28.92,;32.45,-28.14,;29.74,-28.1,;32.23,-37.41,;33.55,-38.2,;30.89,-38.15,;10.95,-35.84,;9.59,-35.11,;9.59,-33.59,;8.33,-35.96,;7.09,-35.04,;5.75,-35.81,;5.75,-37.36,;4.42,-35.04,;4.42,-33.49,;5.75,-32.72,;5.75,-31.18,;4.44,-30.42,;7.1,-30.41,;3.09,-35.83,;1.76,-35.06,;1.76,-33.51,;.42,-35.84,;1.42,-37.03,;-.57,-37.03,;-.91,-35.08,;-2.26,-35.83,;-2.26,-37.4,;-3.6,-35.06,;-4.93,-35.84,;-6.26,-35.05,;-6.26,-33.5,;-7.61,-35.82,;-6.59,-37.02,;-8.6,-37.02,;-8.96,-35.07,;-3.6,-33.51,;-2.26,-32.74,;-4.96,-32.74,;8.33,-37.48,;9.64,-38.24,;7.02,-38.24,;7,-39.76,)| Show InChI InChI=1S/C61H103N17O17/c1-12-14-19-37-49(84)72-40(27-35-28-66-31-68-35)52(87)73-41(53(88)69-36(48(62)83)20-17-18-25-67-59(63)64)29-94-44(81)21-15-16-22-45(82)95-30-42(54(89)71-39(26-32(3)4)51(86)70-37)74-55(90)47(34(7)13-2)76-50(85)38(23-24-43(79)80)75-58(93)61(10,11)78-56(91)46(33(5)6)77-57(92)60(8,9)65/h28,31-34,36-42,46-47H,12-27,29-30,65H2,1-11H3,(H2,62,83)(H,66,68)(H,69,88)(H,70,86)(H,71,89)(H,72,84)(H,73,87)(H,74,90)(H,75,93)(H,76,85)(H,77,92)(H,78,91)(H,79,80)(H4,63,64,67)/t34-,36-,37-,38-,39-,40-,41-,42-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant PTHR1 expressed in HEK293 cells co-transfected with CRE-Luc assessed as increase of adenylyl-cyclase activity after 4... |
J Med Chem 53: 8072-9 (2010)
Article DOI: 10.1021/jm1008264
BindingDB Entry DOI: 10.7270/Q2GM87KQ |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246249
(CHEMBL4063722)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C180H295N55O46S/c1-20-93(18)145(235-162(265)117(50-54-141(247)248)214-174(277)133(82-238)231-177(280)143(91(14)15)233-152(255)104(183)80-236)178(281)216-115(48-52-135(185)240)159(262)221-122(64-88(8)9)165(268)215-118(55-60-282-19)160(263)223-125(67-95-73-196-83-202-95)168(271)226-128(70-137(187)242)171(274)219-119(61-85(2)3)153(256)201-79-139(244)204-110(39-23-25-56-181)154(257)206-107-42-29-36-100(107)148(251)217-120(62-86(4)5)166(269)224-129(71-138(188)243)172(275)230-132(81-237)173(276)208-108-43-28-35-99(108)147(250)210-116(49-53-140(245)246)158(261)211-113(46-32-59-199-180(192)193)161(264)234-144(92(16)17)176(279)229-131-78-195-76-103(131)151(254)218-124(66-94-72-200-105-38-22-21-33-97(94)105)167(270)222-123(65-89(10)11)163(266)212-112(45-31-58-198-179(190)191)156(259)228-130-77-194-75-102(130)150(253)209-111(40-24-26-57-182)155(258)220-121(63-87(6)7)164(267)213-114(47-51-134(184)239)157(260)207-109-44-30-37-101(109)149(252)232-142(90(12)13)175(278)227-126(68-96-74-197-84-203-96)169(272)225-127(69-136(186)241)170(273)205-106-41-27-34-98(106)146(189)249/h21-22,33,38,72-74,83-93,98-104,106-133,142-145,194-195,200,236-238H,20,23-32,34-37,39-71,75-82,181-183H2,1-19H3,(H2,184,239)(H2,185,240)(H2,186,241)(H2,187,242)(H2,188,243)(H2,189,249)(H,196,202)(H,197,203)(H,201,256)(H,204,244)(H,205,273)(H,206,257)(H,207,260)(H,208,276)(H,209,253)(H,210,250)(H,211,261)(H,212,266)(H,213,267)(H,214,277)(H,215,268)(H,216,281)(H,217,251)(H,218,254)(H,219,274)(H,220,258)(H,221,262)(H,222,270)(H,223,263)(H,224,269)(H,225,272)(H,226,271)(H,227,278)(H,228,259)(H,229,279)(H,230,275)(H,231,280)(H,232,252)(H,233,255)(H,234,264)(H,235,265)(H,245,246)(H,247,248)(H4,190,191,198)(H4,192,193,199)/t93-,98-,99-,100-,101-,102-,103-,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,142-,143-,144-,145-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246388
(CHEMBL4097998)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H292N56O50S2/c1-19-96(16)147(238-163(271)116(49-54-143(252)253)215-176(284)133(84-240)234-149(257)103-37-31-42-106(103)208-150(258)104(186)83-239)180(288)219-113(46-51-136(188)243)158(266)223-122(66-91(6)7)166(274)216-118(56-63-290-18)161(269)228-127(72-100-80-198-87-205-100)170(278)231-130(75-138(190)245)173(281)221-120(64-89(2)3)151(259)203-82-140(247)207-107(39-25-28-57-183)152(260)227-126(71-99-79-197-86-204-99)169(277)225-124(68-93(10)11)167(275)229-131(76-139(191)246)174(282)235-134(85-241)177(285)217-117(55-62-289-17)160(268)213-114(47-52-141(248)249)156(264)211-111(44-33-61-201-182(195)196)162(270)236-145(94(12)13)178(286)218-115(48-53-142(250)251)159(267)226-125(70-98-78-202-105-38-24-23-36-102(98)105)168(276)224-123(67-92(8)9)164(272)212-110(43-32-60-200-181(193)194)154(262)209-108(40-26-29-58-184)153(261)210-109(41-27-30-59-185)155(263)222-121(65-90(4)5)165(273)214-112(45-50-135(187)242)157(265)232-132(77-144(254)255)175(283)237-146(95(14)15)179(287)233-128(73-101-81-199-88-206-101)171(279)230-129(74-137(189)244)172(280)220-119(148(192)256)69-97-34-21-20-22-35-97/h20-24,34-36,38,78-81,86-96,103-104,106-134,145-147,202,239-241H,19,25-33,37,39-77,82-85,183-186H2,1-18H3,(H2,187,242)(H2,188,243)(H2,189,244)(H2,190,245)(H2,191,246)(H2,192,256)(H,197,204)(H,198,205)(H,199,206)(H,203,259)(H,207,247)(H,208,258)(H,209,262)(H,210,261)(H,211,264)(H,212,272)(H,213,268)(H,214,273)(H,215,284)(H,216,274)(H,217,285)(H,218,286)(H,219,288)(H,220,280)(H,221,281)(H,222,263)(H,223,266)(H,224,276)(H,225,277)(H,226,267)(H,227,260)(H,228,269)(H,229,275)(H,230,279)(H,231,278)(H,232,265)(H,233,287)(H,234,257)(H,235,282)(H,236,270)(H,237,283)(H,238,271)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,193,194,200)(H4,195,196,201)/t96-,103-,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,145-,146-,147-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246317
(CHEMBL4063322)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)C[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H294N56O50S2/c1-21-97(18)148(238-163(271)115(48-53-144(253)254)215-176(284)133(84-240)208-140(247)76-118(94(12)13)220-150(258)104(186)83-239)180(288)219-112(45-50-136(188)243)158(266)224-122(65-91(6)7)166(274)216-117(55-62-290-20)161(269)229-127(71-101-80-198-87-205-101)170(278)232-130(74-138(190)245)173(281)222-120(63-89(2)3)151(259)203-82-141(248)207-106(39-27-30-56-183)152(260)228-126(70-100-79-197-86-204-100)169(277)226-124(67-93(10)11)167(275)230-131(75-139(191)246)174(282)235-134(85-241)177(285)217-116(54-61-289-19)160(268)213-113(46-51-142(249)250)156(264)211-110(43-34-60-201-182(195)196)162(270)236-146(95(14)15)178(286)218-114(47-52-143(251)252)159(267)227-125(69-99-78-202-105-38-26-25-37-103(99)105)168(276)225-123(66-92(8)9)164(272)212-109(42-33-59-200-181(193)194)154(262)209-107(40-28-31-57-184)153(261)210-108(41-29-32-58-185)155(263)223-121(64-90(4)5)165(273)214-111(44-49-135(187)242)157(265)233-132(77-145(255)256)175(283)237-147(96(16)17)179(287)234-128(72-102-81-199-88-206-102)171(279)231-129(73-137(189)244)172(280)221-119(149(192)257)68-98-35-23-22-24-36-98/h22-26,35-38,78-81,86-97,104,106-134,146-148,202,239-241H,21,27-34,39-77,82-85,183-186H2,1-20H3,(H2,187,242)(H2,188,243)(H2,189,244)(H2,190,245)(H2,191,246)(H2,192,257)(H,197,204)(H,198,205)(H,199,206)(H,203,259)(H,207,248)(H,208,247)(H,209,262)(H,210,261)(H,211,264)(H,212,272)(H,213,268)(H,214,273)(H,215,284)(H,216,274)(H,217,285)(H,218,286)(H,219,288)(H,220,258)(H,221,280)(H,222,281)(H,223,263)(H,224,266)(H,225,276)(H,226,277)(H,227,267)(H,228,260)(H,229,269)(H,230,275)(H,231,279)(H,232,278)(H,233,265)(H,234,287)(H,235,282)(H,236,270)(H,237,283)(H,238,271)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,193,194,200)(H4,195,196,201)/t97-,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,146-,147-,148-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50318885
(CHEMBL525610 | teriparatide)Show SMILES [H][C@](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at PTH1R overexpressed in HEK293 cells assessed as intracellular cAMP production |
J Med Chem 53: 4332-53 (2010)
Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246339
(CHEMBL4106303)Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)CC(N)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C186H305N57O47/c1-23-101(16)153(240-146(254)81-118(89-244)218-160(267)120(47-34-37-61-189)220-147(255)88-207-159(266)119(46-33-36-60-188)223-175(282)137(83-151(262)263)236-174(281)134(75-116-86-202-93-210-116)234-171(278)129(68-98(10)11)230-169(276)128(67-97(8)9)229-164(271)124(52-55-139(191)247)226-173(280)133(74-115-85-201-92-209-115)232-166(273)126(54-58-149(258)259)227-178(285)138(90-245)238-179(286)152(100(14)15)241-157(264)105(20)190)181(288)228-125(53-56-140(192)248)165(272)235-136(82-150(260)261)168(275)216-112(65-95(4)5)79-143(251)219-121(48-38-62-204-184(194)195)162(269)225-123(50-40-64-206-186(198)199)163(270)224-122(49-39-63-205-185(196)197)161(268)217-113(71-108-41-28-26-29-42-108)80-144(252)222-131(72-109-43-30-27-31-44-109)172(279)231-130(69-99(12)13)170(277)233-132(73-114-84-200-91-208-114)167(274)215-110(45-32-35-59-187)77-142(250)221-127(66-96(6)7)176(283)242-155(103(18)25-3)180(287)213-106(21)158(265)214-111(51-57-148(256)257)78-145(253)239-154(102(17)24-2)182(289)237-135(76-117-87-203-94-211-117)177(284)243-156(107(22)246)183(290)212-104(19)70-141(193)249/h26-31,41-44,84-87,91-107,110-113,118-138,152-156,244-246H,23-25,32-40,45-83,88-90,187-190H2,1-22H3,(H2,191,247)(H2,192,248)(H2,193,249)(H,200,208)(H,201,209)(H,202,210)(H,203,211)(H,207,266)(H,212,290)(H,213,287)(H,214,265)(H,215,274)(H,216,275)(H,217,268)(H,218,267)(H,219,251)(H,220,255)(H,221,250)(H,222,252)(H,223,282)(H,224,270)(H,225,269)(H,226,280)(H,227,285)(H,228,288)(H,229,271)(H,230,276)(H,231,279)(H,232,273)(H,233,277)(H,234,278)(H,235,272)(H,236,281)(H,237,289)(H,238,286)(H,239,253)(H,240,254)(H,241,264)(H,242,283)(H,243,284)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,194,195,204)(H4,196,197,205)(H4,198,199,206)/t101-,102-,103-,104-,105-,106-,107+,110-,111-,112-,113-,118+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,152-,153-,154-,155-,156-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246245
(CHEMBL4089035)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C190H307N61O46S2/c1-22-101(16)152(251-170(281)125(58-63-147(260)261)222-156(267)104(19)220-183(294)149(98(10)11)248-154(265)102(17)194)186(297)234-123(56-61-143(197)255)165(276)237-130(76-95(4)5)173(284)231-127(65-74-299-21)168(279)242-135(82-108-89-209-92-217-108)177(288)230-121(54-59-141(195)253)163(274)223-114(50-33-37-69-211-187(201)202)157(268)219-103(18)155(266)221-115(47-30-34-66-191)161(272)240-133(80-106-87-215-112-45-28-26-43-110(106)112)175(286)239-132(78-97(8)9)174(285)243-138(85-145(199)257)180(291)247-140(91-252)182(293)232-126(64-73-298-20)167(278)226-118(51-38-70-212-188(203)204)159(270)227-120(53-40-72-214-190(207)208)169(280)249-150(99(12)13)184(295)233-124(57-62-146(258)259)166(277)241-134(81-107-88-216-113-46-29-27-44-111(107)113)176(287)238-131(77-96(6)7)171(282)228-119(52-39-71-213-189(205)206)160(271)224-116(48-31-35-67-192)158(269)225-117(49-32-36-68-193)162(273)236-129(75-94(2)3)172(283)229-122(55-60-142(196)254)164(275)245-139(86-148(262)263)181(292)250-151(100(14)15)185(296)246-136(83-109-90-210-93-218-109)178(289)244-137(84-144(198)256)179(290)235-128(153(200)264)79-105-41-24-23-25-42-105/h23-29,41-46,87-90,92-104,114-140,149-152,215-216,252H,22,30-40,47-86,91,191-194H2,1-21H3,(H2,195,253)(H2,196,254)(H2,197,255)(H2,198,256)(H2,199,257)(H2,200,264)(H,209,217)(H,210,218)(H,219,268)(H,220,294)(H,221,266)(H,222,267)(H,223,274)(H,224,271)(H,225,269)(H,226,278)(H,227,270)(H,228,282)(H,229,283)(H,230,288)(H,231,284)(H,232,293)(H,233,295)(H,234,297)(H,235,290)(H,236,273)(H,237,276)(H,238,287)(H,239,286)(H,240,272)(H,241,277)(H,242,279)(H,243,285)(H,244,289)(H,245,275)(H,246,296)(H,247,291)(H,248,265)(H,249,280)(H,250,292)(H,251,281)(H,258,259)(H,260,261)(H,262,263)(H4,201,202,211)(H4,203,204,212)(H4,205,206,213)(H4,207,208,214)/t101-,102-,103-,104-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,149-,150-,151-,152-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.340 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246275
(CHEMBL4073243)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H293N55O49S2/c1-21-97(18)147(237-162(268)116(50-54-142(250)251)214-176(282)134(85-240)233-179(285)144(94(12)13)234-150(256)105(186)83-238)180(286)207-107-44-33-39-104(107)149(255)219-121(65-90(4)5)163(269)215-118(56-63-288-20)160(266)226-127(72-101-80-197-87-204-101)169(275)229-130(75-137(189)243)172(278)220-120(64-89(2)3)151(257)202-82-139(245)206-108(41-27-30-57-183)152(258)225-126(71-100-79-196-86-203-100)168(274)223-124(68-93(10)11)166(272)227-131(76-138(190)244)173(279)232-133(84-239)175(281)216-117(55-62-287-19)159(265)212-114(48-52-140(246)247)156(262)210-112(46-35-61-200-182(194)195)161(267)235-145(95(14)15)177(283)217-115(49-53-141(248)249)158(264)224-125(70-99-78-201-106-40-26-25-38-103(99)106)167(273)222-123(67-92(8)9)164(270)211-111(45-34-60-199-181(192)193)154(260)208-109(42-28-31-58-184)153(259)209-110(43-29-32-59-185)155(261)221-122(66-91(6)7)165(271)213-113(47-51-135(187)241)157(263)230-132(77-143(252)253)174(280)236-146(96(16)17)178(284)231-128(73-102-81-198-88-205-102)170(276)228-129(74-136(188)242)171(277)218-119(148(191)254)69-98-36-23-22-24-37-98/h22-26,36-38,40,78-81,86-97,104-105,107-134,144-147,201,238-240H,21,27-35,39,41-77,82-85,183-186H2,1-20H3,(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H2,191,254)(H,196,203)(H,197,204)(H,198,205)(H,202,257)(H,206,245)(H,207,286)(H,208,260)(H,209,259)(H,210,262)(H,211,270)(H,212,265)(H,213,271)(H,214,282)(H,215,269)(H,216,281)(H,217,283)(H,218,277)(H,219,255)(H,220,278)(H,221,261)(H,222,273)(H,223,274)(H,224,264)(H,225,258)(H,226,266)(H,227,272)(H,228,276)(H,229,275)(H,230,263)(H,231,284)(H,232,279)(H,233,285)(H,234,256)(H,235,267)(H,236,280)(H,237,268)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H4,192,193,199)(H4,194,195,200)/t97-,104-,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,144-,145-,146-,147-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.340 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246335
(CHEMBL4093590)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C182H304N54O46/c1-20-94(16)144(234-152(256)103-40-30-49-112(103)206-156(260)115(44-22-24-63-184)205-138(241)83-202-155(259)114(43-21-23-62-183)213-171(275)132(76-142(248)249)228-169(273)129(73-96-77-197-85-203-96)225-167(271)123(67-87(2)3)219-150(254)102-39-29-47-110(102)207-160(264)119(54-58-136(186)239)212-149(253)100-37-27-46-109(100)208-161(265)121(56-60-139(242)243)217-173(277)135(84-237)231-175(279)143(93(14)15)233-147(251)98-35-25-42-107(98)185)176(280)218-120(55-59-137(187)240)162(266)227-131(75-141(246)247)170(274)209-111-48-28-38-101(111)148(252)211-116(51-32-64-199-179(189)190)157(261)214-117(52-33-65-200-180(191)192)158(262)215-118(53-34-66-201-181(193)194)159(263)229-133-81-195-79-105(133)153(257)221-125(69-89(6)7)165(269)223-127(71-91(10)11)164(268)216-122(57-61-140(244)245)163(267)230-134-82-196-80-106(134)154(258)222-126(70-90(8)9)166(270)224-128(72-92(12)13)174(278)236-182(18,19)178(282)232-113-50-31-41-104(113)151(255)220-124(68-88(4)5)168(272)226-130(74-97-78-198-86-204-97)172(276)235-145(95(17)238)177(281)210-108-45-26-36-99(108)146(188)250/h77-78,85-95,98-135,143-145,195-196,237-238H,20-76,79-84,183-185H2,1-19H3,(H2,186,239)(H2,187,240)(H2,188,250)(H,197,203)(H,198,204)(H,202,259)(H,205,241)(H,206,260)(H,207,264)(H,208,265)(H,209,274)(H,210,281)(H,211,252)(H,212,253)(H,213,275)(H,214,261)(H,215,262)(H,216,268)(H,217,277)(H,218,280)(H,219,254)(H,220,255)(H,221,257)(H,222,258)(H,223,269)(H,224,270)(H,225,271)(H,226,272)(H,227,266)(H,228,273)(H,229,263)(H,230,267)(H,231,279)(H,232,282)(H,233,251)(H,234,256)(H,235,276)(H,236,278)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H4,189,190,199)(H4,191,192,200)(H4,193,194,201)/t94-,95+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,143-,144-,145-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.360 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246206
(CHEMBL4090894)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C194H309N61O46S2/c1-97(2)79-134(176(288)235-128(60-65-147(201)259)169(281)248-143(89-152(266)267)184(296)254-154(101(9)10)187(299)249-140(86-108-93-214-96-222-108)181(293)247-141(87-148(202)260)182(294)239-133(156(204)268)82-104-39-19-18-20-40-104)240-166(278)122(51-27-31-72-197)231-162(274)121(50-26-30-71-196)230-164(276)124(56-37-75-217-192(209)210)234-175(287)135(80-98(3)4)241-179(291)138(84-106-91-220-116-48-24-22-42-110(106)116)244-170(282)129(61-66-150(262)263)238-186(298)153(100(7)8)253-174(286)125(57-38-76-218-193(211)212)233-163(275)123(55-36-74-216-191(207)208)232-172(284)132(69-78-303-17)237-185(297)144(94-256)250-183(295)142(88-149(203)261)246-177(289)136(81-99(5)6)242-178(290)137(83-105-90-219-115-47-23-21-41-109(105)115)243-165(277)120(49-25-29-70-195)226-157(269)103(13)223-161(273)119(52-28-32-73-215-190(205)206)229-168(280)127(59-64-146(200)258)236-180(292)139(85-107-92-213-95-221-107)245-173(285)131(68-77-302-16)228-160(272)113-45-35-53-117(113)224-167(279)126(58-63-145(199)257)227-159(271)112-44-34-54-118(112)225-171(283)130(62-67-151(264)265)251-189(301)194(14,15)255-188(300)155(102(11)12)252-158(270)111-43-33-46-114(111)198/h18-24,39-42,47-48,90-93,95-103,111-114,117-144,153-155,219-220,256H,25-38,43-46,49-89,94,195-198H2,1-17H3,(H2,199,257)(H2,200,258)(H2,201,259)(H2,202,260)(H2,203,261)(H2,204,268)(H,213,221)(H,214,222)(H,223,273)(H,224,279)(H,225,283)(H,226,269)(H,227,271)(H,228,272)(H,229,280)(H,230,276)(H,231,274)(H,232,284)(H,233,275)(H,234,287)(H,235,288)(H,236,292)(H,237,297)(H,238,298)(H,239,294)(H,240,278)(H,241,291)(H,242,290)(H,243,277)(H,244,282)(H,245,285)(H,246,289)(H,247,293)(H,248,281)(H,249,299)(H,250,295)(H,251,301)(H,252,270)(H,253,286)(H,254,296)(H,255,300)(H,262,263)(H,264,265)(H,266,267)(H4,205,206,215)(H4,207,208,216)(H4,209,210,217)(H4,211,212,218)/t103-,111-,112-,113-,114-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,153-,154-,155-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246205
(CHEMBL4106300)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C196H319N61O46S2/c1-22-107(16)164(257-178(289)135(58-63-159(272)273)238-167(278)110(19)226-189(300)162(105(12)13)255-165(276)108(17)200)192(303)245-134(57-61-149(203)261)175(286)247-139(77-102(6)7)183(294)244-136(65-74-305-21)176(287)249-142(82-120-95-215-98-223-120)185(296)243-133(56-60-148(202)260)174(285)239-128(50-33-37-69-217-193(207)208)168(279)225-109(18)166(277)237-129(49-32-36-68-199)170(281)231-118(80-112-93-221-124-46-28-26-44-122(112)124)88-156(268)235-137(75-100(2)3)180(291)251-145(92-152(206)264)187(298)253-146(97-258)188(299)228-116(64-73-304-20)87-154(266)234-127(51-38-70-218-194(209)210)172(283)240-131(53-40-72-220-196(213)214)177(288)256-163(106(14)15)190(301)229-115(54-62-158(270)271)86-155(267)236-141(81-113-94-222-125-47-29-27-45-123(113)125)184(295)248-140(78-103(8)9)181(292)241-130(52-39-71-219-195(211)212)169(280)227-114(43-30-34-66-197)85-153(265)233-126(48-31-35-67-198)173(284)246-138(76-101(4)5)182(293)242-132(55-59-147(201)259)171(282)232-119(90-160(274)275)89-157(269)254-161(104(10)11)191(302)252-143(83-121-96-216-99-224-121)186(297)250-144(91-151(205)263)179(290)230-117(84-150(204)262)79-111-41-24-23-25-42-111/h23-29,41-42,44-47,93-96,98-110,114-119,126-146,161-164,221-222,258H,22,30-40,43,48-92,97,197-200H2,1-21H3,(H2,201,259)(H2,202,260)(H2,203,261)(H2,204,262)(H2,205,263)(H2,206,264)(H,215,223)(H,216,224)(H,225,279)(H,226,300)(H,227,280)(H,228,299)(H,229,301)(H,230,290)(H,231,281)(H,232,282)(H,233,265)(H,234,266)(H,235,268)(H,236,267)(H,237,277)(H,238,278)(H,239,285)(H,240,283)(H,241,292)(H,242,293)(H,243,296)(H,244,294)(H,245,303)(H,246,284)(H,247,286)(H,248,295)(H,249,287)(H,250,297)(H,251,291)(H,252,302)(H,253,298)(H,254,269)(H,255,276)(H,256,288)(H,257,289)(H,270,271)(H,272,273)(H,274,275)(H4,207,208,217)(H4,209,210,218)(H4,211,212,219)(H4,213,214,220)/t107-,108-,109-,110-,114-,115-,116-,117-,118-,119+,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,161-,162-,163-,164-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246363
(CHEMBL4097878)Show SMILES CSCC[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C188H309N61O42S/c1-91(2)73-130(234-156(264)107-41-30-51-116(107)219-161(269)120(45-19-22-66-189)224-151(259)97(13)217-160(268)119(47-21-24-68-210-184(198)199)229-167(275)127(59-63-143(194)253)233-175(283)134(77-99-82-208-89-215-99)238-169(277)129(65-72-292-16)228-155(263)105-39-28-49-114(105)220-165(273)125(57-61-141(192)251)227-154(262)104-38-27-50-115(104)222-168(276)128(60-64-146(256)257)245-183(291)188(14,15)249-182(290)149(96(11)12)247-152(260)102-36-25-43-111(102)191)173(281)239-137(80-145(196)255)178(286)244-140(88-250)179(287)223-117-52-29-40-106(117)153(261)225-122(54-32-69-211-185(200)201)162(270)230-124(56-34-71-213-187(204)205)170(278)248-148(95(9)10)181(289)243-139-87-207-85-110(139)159(267)235-133(76-98-81-214-112-44-18-17-35-101(98)112)174(282)237-132(75-93(5)6)171(279)231-123(55-33-70-212-186(202)203)164(272)242-138-86-206-84-109(138)158(266)226-121(46-20-23-67-190)163(271)236-131(74-92(3)4)172(280)232-126(58-62-142(193)252)166(274)221-118-53-31-42-108(118)157(265)246-147(94(7)8)180(288)241-135(78-100-83-209-90-216-100)176(284)240-136(79-144(195)254)177(285)218-113-48-26-37-103(113)150(197)258/h17-18,35,44,81-83,89-97,102-111,113-140,147-149,206-207,214,250H,19-34,36-43,45-80,84-88,189-191H2,1-16H3,(H2,192,251)(H2,193,252)(H2,194,253)(H2,195,254)(H2,196,255)(H2,197,258)(H,208,215)(H,209,216)(H,217,268)(H,218,285)(H,219,269)(H,220,273)(H,221,274)(H,222,276)(H,223,287)(H,224,259)(H,225,261)(H,226,266)(H,227,262)(H,228,263)(H,229,275)(H,230,270)(H,231,279)(H,232,280)(H,233,283)(H,234,264)(H,235,267)(H,236,271)(H,237,282)(H,238,277)(H,239,281)(H,240,284)(H,241,288)(H,242,272)(H,243,289)(H,244,286)(H,245,291)(H,246,265)(H,247,260)(H,248,278)(H,249,290)(H,256,257)(H4,198,199,210)(H4,200,201,211)(H4,202,203,212)(H4,204,205,213)/t97-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,147-,148-,149-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246338
(CHEMBL4063242)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C185H300N56O44/c1-17-94(12)146(179(282)210-97(15)151(254)212-114-50-32-44-108(114)156(259)239-148(96(14)19-3)181(284)233-133(75-102-80-202-89-209-102)176(279)241-149(98(16)243)182(285)217-113-49-28-40-104(113)150(191)253)240-175(278)129(71-92(8)9)226-158(261)111-82-199-84-137(111)235-172(275)132(74-101-79-201-88-208-101)230-169(272)128(70-91(6)7)228-170(273)130(72-99-37-21-20-22-38-99)227-159(262)110-81-198-83-136(110)234-164(267)123(57-36-68-205-185(196)197)222-163(266)122(56-35-67-204-184(194)195)221-162(265)121(55-34-66-203-183(192)193)218-153(256)106-42-30-53-117(106)216-173(276)134(76-143(249)250)231-167(270)125(59-62-140(190)245)224-180(283)147(95(13)18-2)238-157(260)109-45-33-54-118(109)213-161(264)120(48-24-26-65-187)211-141(246)85-206-160(263)119(47-23-25-64-186)220-174(277)135(77-144(251)252)232-171(274)131(73-100-78-200-87-207-100)229-168(271)127(69-90(4)5)225-155(258)107-43-31-52-116(107)214-165(268)124(58-61-139(189)244)219-154(257)105-41-29-51-115(105)215-166(269)126(60-63-142(247)248)223-177(280)138(86-242)236-178(281)145(93(10)11)237-152(255)103-39-27-46-112(103)188/h20-22,37-38,78-80,87-98,103-138,145-149,198-199,242-243H,17-19,23-36,39-77,81-86,186-188H2,1-16H3,(H2,189,244)(H2,190,245)(H2,191,253)(H,200,207)(H,201,208)(H,202,209)(H,206,263)(H,210,282)(H,211,246)(H,212,254)(H,213,264)(H,214,268)(H,215,269)(H,216,276)(H,217,285)(H,218,256)(H,219,257)(H,220,277)(H,221,265)(H,222,266)(H,223,280)(H,224,283)(H,225,258)(H,226,261)(H,227,262)(H,228,273)(H,229,271)(H,230,272)(H,231,270)(H,232,274)(H,233,284)(H,234,267)(H,235,275)(H,236,281)(H,237,255)(H,238,260)(H,239,259)(H,240,278)(H,241,279)(H,247,248)(H,249,250)(H,251,252)(H4,192,193,203)(H4,194,195,204)(H4,196,197,205)/t94-,95-,96-,97-,98+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,145-,146-,147-,148-,149-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.510 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246370
(CHEMBL4059512)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C184H307N61O42S/c1-21-95(16)146(245-166(273)123(56-60-142(252)253)220-150(257)98(19)214-177(284)143(92(10)11)242-148(255)96(17)187)180(287)229-122(55-59-139(190)249)163(270)233-127(71-90(6)7)169(276)228-124(61-68-288-20)164(271)235-130(74-100-79-204-86-211-100)172(279)227-121(54-58-138(189)248)162(269)223-114(45-26-29-64-206-181(194)195)156(263)213-97(18)149(256)219-115(43-24-27-62-185)157(264)216-111-47-32-40-105(111)152(259)230-125(69-88(2)3)170(277)236-133(77-141(192)251)175(282)241-136(85-246)176(283)218-112-48-31-39-104(112)151(258)221-117(50-34-65-207-182(196)197)158(265)224-119(52-36-67-209-184(200)201)165(272)244-145(94(14)15)179(286)240-135-84-203-82-108(135)155(262)231-129(73-99-78-210-109-42-23-22-37-102(99)109)171(278)234-128(72-91(8)9)167(274)225-118(51-35-66-208-183(198)199)160(267)239-134-83-202-81-107(134)154(261)222-116(44-25-28-63-186)159(266)232-126(70-89(4)5)168(275)226-120(53-57-137(188)247)161(268)217-113-49-33-41-106(113)153(260)243-144(93(12)13)178(285)238-131(75-101-80-205-87-212-101)173(280)237-132(76-140(191)250)174(281)215-110-46-30-38-103(110)147(193)254/h22-23,37,42,78-80,86-98,103-108,110-136,143-146,202-203,210,246H,21,24-36,38-41,43-77,81-85,185-187H2,1-20H3,(H2,188,247)(H2,189,248)(H2,190,249)(H2,191,250)(H2,192,251)(H2,193,254)(H,204,211)(H,205,212)(H,213,263)(H,214,284)(H,215,281)(H,216,264)(H,217,268)(H,218,283)(H,219,256)(H,220,257)(H,221,258)(H,222,261)(H,223,269)(H,224,265)(H,225,274)(H,226,275)(H,227,279)(H,228,276)(H,229,287)(H,230,259)(H,231,262)(H,232,266)(H,233,270)(H,234,278)(H,235,271)(H,236,277)(H,237,280)(H,238,285)(H,239,267)(H,240,286)(H,241,282)(H,242,255)(H,243,260)(H,244,272)(H,245,273)(H,252,253)(H4,194,195,206)(H4,196,197,207)(H4,198,199,208)(H4,200,201,209)/t95-,96-,97-,98-,103-,104-,105-,106-,107-,108-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,143-,144-,145-,146-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.510 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246384
(CHEMBL4069902)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C194H311N61O46S2/c1-20-103(14)155(254-173(285)129(62-67-150(264)265)250-189(301)194(16,17)255-188(300)154(102(12)13)251-158(270)112-45-36-47-114(112)198)187(299)237-127(60-65-146(201)259)166(278)224-117-54-37-46-113(117)159(271)226-130(68-77-302-18)171(283)244-138(85-108-92-213-95-221-108)179(291)234-125(58-63-144(199)257)167(279)227-118(53-31-35-73-215-190(205)206)160(272)223-104(15)157(269)225-119(50-28-32-70-195)164(276)242-136(83-106-90-219-115-48-26-24-43-110(106)115)177(289)241-135(81-99(6)7)176(288)245-141(88-148(203)261)182(294)249-143(94-256)184(296)235-131(69-78-303-19)170(282)230-122(55-38-74-216-191(207)208)162(274)231-124(57-40-76-218-193(211)212)172(284)252-152(100(8)9)185(297)236-128(61-66-149(262)263)169(281)243-137(84-107-91-220-116-49-27-25-44-111(107)116)178(290)240-134(80-98(4)5)174(286)232-123(56-39-75-217-192(209)210)163(275)228-120(51-29-33-71-196)161(273)229-121(52-30-34-72-197)165(277)239-133(79-97(2)3)175(287)233-126(59-64-145(200)258)168(280)247-142(89-151(266)267)183(295)253-153(101(10)11)186(298)248-139(86-109-93-214-96-222-109)180(292)246-140(87-147(202)260)181(293)238-132(156(204)268)82-105-41-22-21-23-42-105/h21-27,41-44,48-49,90-93,95-104,112-114,117-143,152-155,219-220,256H,20,28-40,45-47,50-89,94,195-198H2,1-19H3,(H2,199,257)(H2,200,258)(H2,201,259)(H2,202,260)(H2,203,261)(H2,204,268)(H,213,221)(H,214,222)(H,223,272)(H,224,278)(H,225,269)(H,226,271)(H,227,279)(H,228,275)(H,229,273)(H,230,282)(H,231,274)(H,232,286)(H,233,287)(H,234,291)(H,235,296)(H,236,297)(H,237,299)(H,238,293)(H,239,277)(H,240,290)(H,241,289)(H,242,276)(H,243,281)(H,244,283)(H,245,288)(H,246,292)(H,247,280)(H,248,298)(H,249,294)(H,250,301)(H,251,270)(H,252,284)(H,253,295)(H,254,285)(H,255,300)(H,262,263)(H,264,265)(H,266,267)(H4,205,206,215)(H4,207,208,216)(H4,209,210,217)(H4,211,212,218)/t103-,104-,112-,113-,114-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,152-,153-,154-,155-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.520 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246420
(CHEMBL4106304)Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C182H296N58O44/c1-20-93(14)143(176(281)209-97(18)149(254)211-111-46-32-41-106(111)151(256)238-145(95(16)22-3)178(283)232-130(71-103-77-200-87-208-103)173(278)240-146(98(19)242)179(284)214-110-45-30-39-104(110)147(188)252)239-172(277)125(66-91(10)11)222-153(258)109-79-196-81-134(109)234-169(274)129(70-102-76-199-86-207-102)229-165(270)124(65-90(8)9)226-166(271)126(67-99-37-24-23-25-38-99)223-154(259)108-78-195-80-133(108)233-159(264)118(51-36-62-203-182(193)194)218-158(263)117(50-35-61-202-181(191)192)217-157(262)116(49-34-60-201-180(189)190)215-150(255)105-40-31-47-112(105)213-170(275)131(72-140(248)249)230-161(266)120(53-56-137(187)244)221-177(282)144(94(15)21-2)237-152(257)107-42-33-48-113(107)212-156(261)115(44-27-29-59-184)210-138(245)82-204-155(260)114(43-26-28-58-183)216-171(276)132(73-141(250)251)231-168(273)128(69-101-75-198-85-206-101)228-164(269)123(64-89(6)7)225-163(268)122(63-88(4)5)224-160(265)119(52-55-136(186)243)219-167(272)127(68-100-74-197-84-205-100)227-162(267)121(54-57-139(246)247)220-174(279)135(83-241)235-175(280)142(92(12)13)236-148(253)96(17)185/h23-25,37-38,74-77,84-98,104-135,142-146,195-196,241-242H,20-22,26-36,39-73,78-83,183-185H2,1-19H3,(H2,186,243)(H2,187,244)(H2,188,252)(H,197,205)(H,198,206)(H,199,207)(H,200,208)(H,204,260)(H,209,281)(H,210,245)(H,211,254)(H,212,261)(H,213,275)(H,214,284)(H,215,255)(H,216,276)(H,217,262)(H,218,263)(H,219,272)(H,220,279)(H,221,282)(H,222,258)(H,223,259)(H,224,265)(H,225,268)(H,226,271)(H,227,267)(H,228,269)(H,229,270)(H,230,266)(H,231,273)(H,232,283)(H,233,264)(H,234,274)(H,235,280)(H,236,253)(H,237,257)(H,238,256)(H,239,277)(H,240,278)(H,246,247)(H,248,249)(H,250,251)(H4,189,190,201)(H4,191,192,202)(H4,193,194,203)/t93-,94-,95-,96-,97-,98+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,142-,143+,144-,145-,146-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246385
(CHEMBL4083799)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C183H297N55O45S/c1-18-94(16)148(238-166(268)121(54-58-144(249)250)219-177(279)136(84-240)234-180(282)146(92(12)13)235-150(252)99-34-25-40-107(99)186)181(283)220-119(52-56-138(188)242)162(264)210-110-45-27-36-101(110)152(254)215-122(59-64-284-17)164(266)226-128(70-96-76-199-85-205-96)171(273)229-131(73-140(190)244)174(276)223-123(65-87(2)3)157(259)204-82-142(246)207-114(42-21-23-60-184)158(260)209-111-46-29-38-103(111)153(255)221-124(66-88(4)5)169(271)227-132(74-141(191)245)175(277)233-135(83-239)176(278)212-112-47-28-37-102(112)151(253)214-120(53-57-143(247)248)163(265)216-117(50-32-63-202-183(195)196)165(267)237-147(93(14)15)179(281)232-134-81-198-79-106(134)156(258)222-127(69-95-75-203-108-41-20-19-33-98(95)108)170(272)225-126(68-90(8)9)167(269)217-116(49-31-62-201-182(193)194)160(262)231-133-80-197-78-105(133)155(257)213-115(43-22-24-61-185)159(261)224-125(67-89(6)7)168(270)218-118(51-55-137(187)241)161(263)211-113-48-30-39-104(113)154(256)236-145(91(10)11)178(280)230-129(71-97-77-200-86-206-97)172(274)228-130(72-139(189)243)173(275)208-109-44-26-35-100(109)149(192)251/h19-20,33,41,75-77,85-94,99-107,109-136,145-148,197-198,203,239-240H,18,21-32,34-40,42-74,78-84,184-186H2,1-17H3,(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H2,191,245)(H2,192,251)(H,199,205)(H,200,206)(H,204,259)(H,207,246)(H,208,275)(H,209,260)(H,210,264)(H,211,263)(H,212,278)(H,213,257)(H,214,253)(H,215,254)(H,216,265)(H,217,269)(H,218,270)(H,219,279)(H,220,283)(H,221,255)(H,222,258)(H,223,276)(H,224,261)(H,225,272)(H,226,266)(H,227,271)(H,228,274)(H,229,273)(H,230,280)(H,231,262)(H,232,281)(H,233,277)(H,234,282)(H,235,252)(H,236,256)(H,237,267)(H,238,268)(H,247,248)(H,249,250)(H4,193,194,201)(H4,195,196,202)/t94-,99-,100-,101-,102-,103-,104-,105-,106-,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,145-,146-,147-,148-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.710 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246425
(CHEMBL4106302)Show SMILES CSCC[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C |r| Show InChI InChI=1S/C200H321N61O46S2/c1-103(2)79-142(238-160(272)91-117(83-111-96-225-127-48-23-21-42-121(111)127)234-174(286)134(51-27-31-72-203)242-168(280)109(13)229-172(284)133(52-28-32-73-221-196(211)212)245-179(291)139(61-65-153(207)265)249-188(300)146(85-119-98-219-101-227-119)252-181(293)141(69-78-309-17)244-171(283)125-46-35-53-129(125)240-178(290)138(60-64-152(206)264)243-170(282)124-45-34-54-130(124)241-180(292)140(62-67-163(276)277)257-195(307)200(14,15)261-194(306)167(108(11)12)259-169(281)123-44-33-47-126(123)204)184(296)254-149(95-156(210)268)190(302)256-150(100-262)191(303)231-115(68-77-308-16)90-158(270)237-132(55-36-74-222-197(213)214)176(288)246-136(57-38-76-224-199(217)218)182(294)260-166(107(9)10)192(304)232-114(58-66-162(274)275)89-159(271)239-145(84-112-97-226-128-49-24-22-43-122(112)128)187(299)251-144(81-105(5)6)185(297)247-135(56-37-75-223-198(215)216)173(285)230-113(41-25-29-70-201)88-157(269)236-131(50-26-30-71-202)177(289)250-143(80-104(3)4)186(298)248-137(59-63-151(205)263)175(287)235-118(93-164(278)279)92-161(273)258-165(106(7)8)193(305)255-147(86-120-99-220-102-228-120)189(301)253-148(94-155(209)267)183(295)233-116(87-154(208)266)82-110-39-19-18-20-40-110/h18-24,39-40,42-43,48-49,96-99,101-109,113-118,123-126,129-150,165-167,225-226,262H,25-38,41,44-47,50-95,100,201-204H2,1-17H3,(H2,205,263)(H2,206,264)(H2,207,265)(H2,208,266)(H2,209,267)(H2,210,268)(H,219,227)(H,220,228)(H,229,284)(H,230,285)(H,231,303)(H,232,304)(H,233,295)(H,234,286)(H,235,287)(H,236,269)(H,237,270)(H,238,272)(H,239,271)(H,240,290)(H,241,292)(H,242,280)(H,243,282)(H,244,283)(H,245,291)(H,246,288)(H,247,297)(H,248,298)(H,249,300)(H,250,289)(H,251,299)(H,252,293)(H,253,301)(H,254,296)(H,255,305)(H,256,302)(H,257,307)(H,258,273)(H,259,281)(H,260,294)(H,261,306)(H,274,275)(H,276,277)(H,278,279)(H4,211,212,221)(H4,213,214,222)(H4,215,216,223)(H4,217,218,224)/t109-,113-,114-,115-,116-,117-,118+,123-,124-,125-,126-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,165-,166-,167-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.790 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246369
(CHEMBL4106301)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C200H323N61O46S2/c1-20-109(14)167(260-181(293)139(62-67-162(276)277)256-195(307)200(16,17)261-194(306)166(108(12)13)258-169(281)124-46-36-48-126(124)204)193(305)248-138(61-65-152(207)265)177(289)240-129-54-37-47-125(129)170(282)242-140(69-78-309-19)179(291)251-145(85-120-98-219-101-227-120)187(299)247-137(60-64-151(206)264)178(290)243-132(53-31-35-73-221-196(211)212)171(283)229-110(15)168(280)241-133(52-30-34-72-203)173(285)234-118(83-112-96-225-127-49-26-24-44-122(112)127)91-159(272)238-141(79-103(2)3)183(295)253-148(95-155(210)268)189(301)255-149(100-262)190(302)231-116(68-77-308-18)90-157(270)237-131(55-38-74-222-197(213)214)175(287)244-135(57-40-76-224-199(217)218)180(292)259-165(107(10)11)191(303)232-115(58-66-161(274)275)89-158(271)239-144(84-113-97-226-128-50-27-25-45-123(113)128)186(298)250-143(81-105(6)7)184(296)245-134(56-39-75-223-198(215)216)172(284)230-114(43-28-32-70-201)88-156(269)236-130(51-29-33-71-202)176(288)249-142(80-104(4)5)185(297)246-136(59-63-150(205)263)174(286)235-119(93-163(278)279)92-160(273)257-164(106(8)9)192(304)254-146(86-121-99-220-102-228-121)188(300)252-147(94-154(209)267)182(294)233-117(87-153(208)266)82-111-41-22-21-23-42-111/h21-27,41-42,44-45,49-50,96-99,101-110,114-119,124-126,129-149,164-167,225-226,262H,20,28-40,43,46-48,51-95,100,201-204H2,1-19H3,(H2,205,263)(H2,206,264)(H2,207,265)(H2,208,266)(H2,209,267)(H2,210,268)(H,219,227)(H,220,228)(H,229,283)(H,230,284)(H,231,302)(H,232,303)(H,233,294)(H,234,285)(H,235,286)(H,236,269)(H,237,270)(H,238,272)(H,239,271)(H,240,289)(H,241,280)(H,242,282)(H,243,290)(H,244,287)(H,245,296)(H,246,297)(H,247,299)(H,248,305)(H,249,288)(H,250,298)(H,251,291)(H,252,300)(H,253,295)(H,254,304)(H,255,301)(H,256,307)(H,257,273)(H,258,281)(H,259,292)(H,260,293)(H,261,306)(H,274,275)(H,276,277)(H,278,279)(H4,211,212,221)(H4,213,214,222)(H4,215,216,223)(H4,217,218,224)/t109-,110-,114-,115-,116-,117-,118-,119+,124-,125-,126-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,164-,165-,166-,167-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.830 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269978
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Fl...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:62.61,8.12,81.81,97.97,25.25,wD:55.55,44.44,4.4,29.34,92.93,72.72,130.134,16.21,(17.08,-55.29,;15.74,-54.54,;15.72,-53,;14.37,-52.25,;14.35,-50.72,;13.05,-49.9,;11.68,-50.63,;11.69,-52.18,;10.41,-49.76,;10.41,-48.21,;11.75,-47.44,;11.75,-45.89,;13.08,-48.22,;9.18,-50.66,;7.82,-49.93,;7.82,-48.38,;6.54,-50.81,;6.54,-52.35,;7.88,-53.13,;7.88,-54.66,;6.54,-55.44,;9.21,-55.44,;5.33,-49.91,;3.96,-50.65,;3.97,-52.2,;2.68,-49.78,;1.46,-50.68,;.1,-49.96,;.11,-48.4,;-1.17,-50.82,;-1.17,-52.37,;.16,-53.14,;.16,-54.68,;-1.17,-55.47,;1.5,-55.47,;-2.39,-49.93,;-3.75,-50.66,;-3.74,-52.21,;-5.02,-49.78,;-4.21,-48.48,;-5.88,-51.07,;-6.33,-49.03,;-6.37,-47.49,;-5.03,-46.73,;-7.78,-46.8,;-7.77,-45.29,;-9.18,-44.63,;-10.4,-45.56,;-9.17,-43.1,;-7.63,-43.08,;-10.7,-43.12,;-9.19,-41.56,;-9.11,-47.57,;-9.14,-49.11,;-10.44,-46.79,;2.68,-48.23,;4.02,-47.46,;1.34,-47.45,;1.33,-45.91,;15.54,-49.93,;15.55,-48.38,;16.91,-50.66,;18.13,-49.76,;18.13,-48.22,;19.47,-47.44,;20.94,-47.94,;21.86,-46.7,;20.97,-45.43,;19.48,-45.89,;19.42,-50.64,;19.42,-52.19,;20.78,-49.91,;22,-50.8,;22,-52.35,;23.33,-53.12,;23.33,-54.66,;22,-55.44,;24.68,-55.43,;23.28,-49.93,;23.29,-48.38,;24.65,-50.66,;25.87,-49.77,;25.87,-48.22,;27.21,-47.45,;27.21,-45.9,;28.54,-45.13,;28.54,-43.6,;29.87,-42.83,;27.21,-42.83,;27.15,-50.64,;27.15,-52.19,;28.51,-49.91,;29.72,-50.81,;29.73,-52.35,;31.01,-49.93,;31.01,-48.38,;32.36,-50.66,;33.68,-49.87,;33.68,-48.34,;32.34,-47.58,;32.33,-46.04,;31,-45.28,;30.97,-43.74,;32.28,-42.95,;33.63,-43.7,;32.25,-41.42,;30.72,-41.45,;29.92,-40.13,;30.67,-38.78,;32.2,-38.76,;32.99,-40.08,;34.52,-40.06,;35.27,-38.71,;34.48,-37.39,;35.23,-36.05,;36.77,-36.03,;37.52,-34.69,;37.56,-37.34,;36.82,-38.69,;37.62,-40.01,;36.85,-41.36,;37.65,-42.68,;36.89,-44.03,;37.67,-45.35,;35.35,-44.05,;34.56,-42.72,;35.31,-41.38,;35.02,-50.64,;35.03,-52.17,;36.35,-49.86,;37.68,-50.62,;37.69,-52.15,;39.03,-52.92,;39.02,-54.45,;40.36,-55.21,;41.69,-54.44,;43.02,-55.2,;41.67,-52.89,;40.34,-52.14,;39.01,-49.84,;40.34,-50.6,;39,-48.31,)| Show InChI InChI=1S/C96H137N23O23/c1-13-15-23-62(110-88(136)69(42-49(3)4)114-86(134)66(35-38-74(98)124)112-90(138)78(51(7)14-2)117-87(135)67(36-39-75(125)126)116-93(141)96(11,12)119-91(139)77(50(5)6)118-92(140)95(9,10)102)84(132)115-70(44-54-47-103-48-106-54)89(137)111-65(34-37-73(97)123)85(133)109-64(25-20-41-105-94(100)101)82(130)107-52(8)80(128)108-63(83(131)113-68(79(99)127)43-53-26-28-55(120)29-27-53)24-18-19-40-104-81(129)59-22-17-16-21-58(59)76-60-32-30-56(121)45-71(60)142-72-46-57(122)31-33-61(72)76/h16-17,21-22,26-33,45-52,62-70,77-78,120-121H,13-15,18-20,23-25,34-44,102H2,1-12H3,(H2,97,123)(H2,98,124)(H2,99,127)(H,103,106)(H,104,129)(H,107,130)(H,108,128)(H,109,133)(H,110,136)(H,111,137)(H,112,138)(H,113,131)(H,114,134)(H,115,132)(H,116,141)(H,117,135)(H,118,140)(H,119,139)(H,125,126)(H4,100,101,105)/t51-,52-,62-,63-,64-,65-,66-,67-,68-,69-,70-,77-,78-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.920 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in HEK293 cells assessed as induction of luciferase activity by CRE-luciferase reporter ... |
Proc Natl Acad Sci U S A 104: 6846-51 (2007)
Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50318885
(CHEMBL525610 | teriparatide)Show SMILES [H][C@](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at PTH1R overexpressed in HEK293 cells assessed as intracellular cAMP mobilization |
J Med Chem 53: 4332-53 (2010)
Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246295
(CHEMBL4060554)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H294N56O50S2/c1-21-97(18)148(238-163(271)116(48-53-143(253)254)216-176(284)133(85-241)234-179(287)145(94(12)13)235-150(258)105(186)83-239)180(288)219-112(44-49-134(187)242)152(260)207-100(63-89(2)3)73-139(247)208-117(54-61-289-19)160(268)227-126(71-102-80-198-87-205-102)169(277)230-129(75-137(190)245)172(280)221-120(64-90(4)5)151(259)203-82-140(248)209-107(39-27-30-56-183)153(261)226-125(70-101-79-197-86-204-101)168(276)224-123(67-93(10)11)166(274)228-130(76-138(191)246)173(281)233-132(84-240)175(283)217-118(55-62-290-20)161(269)214-114(46-51-141(249)250)157(265)212-111(43-34-60-201-182(195)196)162(270)236-146(95(14)15)177(285)218-115(47-52-142(251)252)159(267)225-124(69-99-78-202-106-38-26-25-37-104(99)106)167(275)223-122(66-92(8)9)164(272)213-110(42-33-59-200-181(193)194)155(263)210-108(40-28-31-57-184)154(262)211-109(41-29-32-58-185)156(264)222-121(65-91(6)7)165(273)215-113(45-50-135(188)243)158(266)231-131(77-144(255)256)174(282)237-147(96(16)17)178(286)232-127(72-103-81-199-88-206-103)170(278)229-128(74-136(189)244)171(279)220-119(149(192)257)68-98-35-23-22-24-36-98/h22-26,35-38,78-81,86-97,100,105,107-133,145-148,202,239-241H,21,27-34,39-77,82-85,183-186H2,1-20H3,(H2,187,242)(H2,188,243)(H2,189,244)(H2,190,245)(H2,191,246)(H2,192,257)(H,197,204)(H,198,205)(H,199,206)(H,203,259)(H,207,260)(H,208,247)(H,209,248)(H,210,263)(H,211,262)(H,212,265)(H,213,272)(H,214,269)(H,215,273)(H,216,284)(H,217,283)(H,218,285)(H,219,288)(H,220,279)(H,221,280)(H,222,264)(H,223,275)(H,224,276)(H,225,267)(H,226,261)(H,227,268)(H,228,274)(H,229,278)(H,230,277)(H,231,266)(H,232,286)(H,233,281)(H,234,287)(H,235,258)(H,236,270)(H,237,282)(H,238,271)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,193,194,200)(H4,195,196,201)/t97-,100-,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,145-,146-,147-,148-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269977
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:62.61,8.12,97.97,81.81,25.25,118.119,wD:55.55,106.106,4.4,44.44,29.34,16.21,92.93,72.72,(16.67,-31.38,;15.33,-30.63,;15.31,-29.09,;13.97,-28.35,;13.94,-26.81,;12.64,-26,;11.27,-26.72,;11.28,-28.28,;10,-25.85,;10,-24.31,;11.34,-23.53,;11.34,-21.99,;12.67,-24.31,;8.78,-26.75,;7.41,-26.03,;7.42,-24.48,;6.13,-26.9,;6.14,-28.44,;7.47,-29.22,;7.47,-30.76,;6.14,-31.53,;8.8,-31.53,;4.92,-26,;3.55,-26.74,;3.56,-28.29,;2.27,-25.87,;1.05,-26.77,;-.3,-26.05,;-.3,-24.49,;-1.58,-26.92,;-1.58,-28.46,;-.25,-29.24,;-.25,-30.77,;-1.58,-31.56,;1.09,-31.56,;-2.8,-26.02,;-4.15,-26.75,;-4.15,-28.3,;-5.43,-25.88,;-4.62,-24.58,;-6.27,-27.16,;-6.75,-25.13,;-6.78,-23.59,;-5.43,-22.83,;-8.17,-22.89,;-8.18,-21.39,;-9.57,-20.73,;-10.82,-21.65,;-9.58,-19.19,;-8.04,-19.18,;-11.11,-19.21,;-9.6,-17.65,;-9.53,-23.66,;-9.53,-25.2,;-10.85,-22.88,;2.27,-24.33,;3.61,-23.55,;.93,-23.55,;.92,-22,;15.13,-26.02,;15.15,-24.47,;16.5,-26.75,;17.72,-25.86,;17.72,-24.31,;19.06,-23.53,;20.53,-24.03,;21.45,-22.79,;20.56,-21.53,;19.07,-21.99,;19.01,-26.73,;19.01,-28.28,;20.37,-26,;21.59,-26.89,;21.59,-28.44,;22.92,-29.21,;22.92,-30.75,;21.59,-31.53,;24.27,-31.53,;22.87,-26.02,;22.88,-24.47,;24.24,-26.75,;25.46,-25.86,;25.46,-24.31,;26.8,-23.54,;26.8,-21.99,;28.13,-21.23,;28.13,-19.69,;29.46,-18.92,;26.8,-18.92,;26.74,-26.73,;26.74,-28.28,;28.1,-26,;29.31,-26.9,;29.31,-28.44,;30.6,-26.03,;30.6,-24.48,;31.97,-26.76,;33.19,-25.87,;33.19,-24.32,;34.53,-23.54,;34.53,-22,;35.86,-21.23,;35.86,-19.69,;34.47,-26.74,;34.48,-28.29,;35.83,-26,;37.18,-26.73,;37.21,-28.27,;38.56,-29.01,;38.58,-30.54,;39.93,-31.28,;41.24,-30.49,;42.59,-31.23,;41.2,-28.95,;39.86,-28.21,;38.49,-25.94,;38.46,-24.4,;39.84,-26.67,;41.16,-25.89,;41.15,-24.36,;39.82,-23.6,;39.81,-22.06,;38.48,-21.3,;38.45,-19.76,;39.76,-18.97,;41.1,-19.72,;39.72,-17.44,;38.19,-17.47,;37.4,-16.15,;38.14,-14.8,;39.68,-14.78,;40.47,-16.1,;41.99,-16.08,;42.74,-14.73,;41.96,-13.41,;42.71,-12.07,;44.25,-12.05,;44.99,-10.71,;45.04,-13.36,;44.3,-14.71,;45.1,-16.03,;44.33,-17.38,;45.12,-18.7,;44.36,-20.05,;45.15,-21.37,;42.82,-20.07,;42.04,-18.74,;42.79,-17.4,;42.5,-26.65,;42.51,-28.19,;43.83,-25.88,)| Show InChI InChI=1S/C102H149N25O24/c1-13-15-25-67(118-93(144)73(46-53(3)4)121-91(142)71(38-41-79(105)132)120-96(147)83(55(7)14-2)125-92(143)72(39-42-80(133)134)124-99(150)102(11,12)127-97(148)82(54(5)6)126-98(149)101(9,10)109)88(139)123-75(48-58-51-110-52-113-58)95(146)119-70(37-40-78(104)131)90(141)117-69(28-22-45-112-100(107)108)87(138)114-56(8)85(136)116-68(27-18-20-43-103)89(140)122-74(47-57-29-31-59(128)32-30-57)94(145)115-66(84(106)135)26-19-21-44-111-86(137)63-24-17-16-23-62(63)81-64-35-33-60(129)49-76(64)151-77-50-61(130)34-36-65(77)81/h16-17,23-24,29-36,49-56,66-75,82-83,128-129H,13-15,18-22,25-28,37-48,103,109H2,1-12H3,(H2,104,131)(H2,105,132)(H2,106,135)(H,110,113)(H,111,137)(H,114,138)(H,115,145)(H,116,136)(H,117,141)(H,118,144)(H,119,146)(H,120,147)(H,121,142)(H,122,140)(H,123,139)(H,124,150)(H,125,143)(H,126,149)(H,127,148)(H,133,134)(H4,107,108,112)/t55-,56-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in HEK293 cells assessed as induction of luciferase activity by CRE-luciferase reporter ... |
Proc Natl Acad Sci U S A 104: 6846-51 (2007)
Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246248
(CHEMBL4106298)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C195H309N55O49S2/c1-19-106(16)166(250-178(284)133(56-61-161(269)270)235-189(295)146(96-252)246-192(298)165(105(14)15)248-167(273)120-42-33-44-122(120)199)193(299)236-132(54-58-148(201)254)175(281)230-125-49-34-43-121(125)168(274)231-134(63-70-301-18)176(282)240-140(78-116-92-210-97-217-116)184(290)243-143(88-151(204)257)186(292)237-135(71-99(2)3)169(275)216-94-158(264)227-126(47-28-31-65-197)170(276)223-114(76-108-90-214-123-45-25-23-40-118(108)123)84-156(262)228-136(72-100(4)5)180(286)242-144(89-152(205)258)187(293)245-145(95-251)188(294)220-112(62-69-300-17)83-154(260)226-130(55-60-160(267)268)174(280)232-129(51-36-68-213-195(208)209)177(283)249-164(104(12)13)190(296)221-111(52-59-159(265)266)82-155(261)229-139(77-109-91-215-124-46-26-24-41-119(109)124)183(289)239-138(74-102(8)9)181(287)233-128(50-35-67-212-194(206)207)171(277)219-110(39-27-30-64-196)81-153(259)225-127(48-29-32-66-198)173(279)238-137(73-101(6)7)182(288)234-131(53-57-147(200)253)172(278)224-115(86-162(271)272)85-157(263)247-163(103(10)11)191(297)244-141(79-117-93-211-98-218-117)185(291)241-142(87-150(203)256)179(285)222-113(80-149(202)255)75-107-37-21-20-22-38-107/h20-26,37-38,40-41,45-46,90-93,97-106,110-115,120-122,125-146,163-166,214-215,251-252H,19,27-36,39,42-44,47-89,94-96,196-199H2,1-18H3,(H2,200,253)(H2,201,254)(H2,202,255)(H2,203,256)(H2,204,257)(H2,205,258)(H,210,217)(H,211,218)(H,216,275)(H,219,277)(H,220,294)(H,221,296)(H,222,285)(H,223,276)(H,224,278)(H,225,259)(H,226,260)(H,227,264)(H,228,262)(H,229,261)(H,230,281)(H,231,274)(H,232,280)(H,233,287)(H,234,288)(H,235,295)(H,236,299)(H,237,292)(H,238,279)(H,239,289)(H,240,282)(H,241,291)(H,242,286)(H,243,290)(H,244,297)(H,245,293)(H,246,298)(H,247,263)(H,248,273)(H,249,283)(H,250,284)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H4,206,207,212)(H4,208,209,213)/t106-,110-,111-,112-,113-,114-,115+,120-,121-,122-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,163-,164-,165-,166-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246364
(CHEMBL4090161)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C188H311N61O42S/c1-19-97(14)149(248-169(277)127(60-64-145(256)257)244-183(291)188(16,17)249-182(290)148(96(12)13)246-152(260)103-38-28-44-111(103)191)181(289)232-126(59-63-142(194)253)165(273)220-114-50-30-40-105(114)154(262)226-128(65-72-292-18)167(275)237-133(77-100-82-208-89-215-100)174(282)231-125(58-62-141(193)252)166(274)227-118(48-24-27-68-210-184(198)199)159(267)217-98(15)151(259)223-119(46-22-25-66-189)160(268)219-115-51-32-42-107(115)155(263)233-129(73-91(2)3)172(280)238-136(80-144(196)255)177(285)243-139(88-250)178(286)222-116-52-31-41-106(116)153(261)224-121(54-34-69-211-185(200)201)161(269)228-123(56-36-71-213-187(204)205)168(276)247-147(95(10)11)180(288)242-138-87-207-85-110(138)158(266)234-132(76-99-81-214-112-45-21-20-37-102(99)112)173(281)236-131(75-93(6)7)170(278)229-122(55-35-70-212-186(202)203)163(271)241-137-86-206-84-109(137)157(265)225-120(47-23-26-67-190)162(270)235-130(74-92(4)5)171(279)230-124(57-61-140(192)251)164(272)221-117-53-33-43-108(117)156(264)245-146(94(8)9)179(287)240-134(78-101-83-209-90-216-101)175(283)239-135(79-143(195)254)176(284)218-113-49-29-39-104(113)150(197)258/h20-21,37,45,81-83,89-98,103-111,113-139,146-149,206-207,214,250H,19,22-36,38-44,46-80,84-88,189-191H2,1-18H3,(H2,192,251)(H2,193,252)(H2,194,253)(H2,195,254)(H2,196,255)(H2,197,258)(H,208,215)(H,209,216)(H,217,267)(H,218,284)(H,219,268)(H,220,273)(H,221,272)(H,222,286)(H,223,259)(H,224,261)(H,225,265)(H,226,262)(H,227,274)(H,228,269)(H,229,278)(H,230,279)(H,231,282)(H,232,289)(H,233,263)(H,234,266)(H,235,270)(H,236,281)(H,237,275)(H,238,280)(H,239,283)(H,240,287)(H,241,271)(H,242,288)(H,243,285)(H,244,291)(H,245,264)(H,246,260)(H,247,276)(H,248,277)(H,249,290)(H,256,257)(H4,198,199,210)(H4,200,201,211)(H4,202,203,212)(H4,204,205,213)/t97-,98-,103-,104-,105-,106-,107-,108-,109-,110-,111-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,146-,147-,148-,149-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269976
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)| Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in SAOS2 cells assessed as cAMP formation |
Proc Natl Acad Sci U S A 104: 6846-51 (2007)
Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50331022
((7S,10S,13S,16S,19S,22S,25S,28S)-13-((1H-imidazol-...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(N)=O |r,wU:8.12,25.25,62.61,wD:55.55,44.44,4.4,16.21,72.72,81.81,29.34,(18.61,-11.45,;19.92,-10.64,;19.86,-9.1,;21.16,-8.28,;21.1,-6.74,;19.72,-6.07,;18.37,-6.82,;18.37,-8.36,;17.04,-6.05,;17.04,-4.52,;18.37,-3.75,;18.37,-2.21,;19.71,-4.52,;15.72,-6.83,;14.44,-5.97,;14.5,-4.43,;13.08,-6.7,;13.02,-8.24,;14.33,-9.06,;14.28,-10.61,;12.87,-11.37,;15.59,-11.42,;11.74,-5.93,;10.38,-6.64,;10.38,-8.16,;9.12,-5.79,;7.88,-6.71,;6.55,-5.93,;6.55,-4.39,;5.21,-6.72,;5.21,-8.26,;6.55,-9.03,;6.55,-10.57,;5.24,-11.37,;7.89,-11.35,;3.88,-5.94,;2.54,-6.71,;2.54,-8.26,;1.21,-5.93,;2.2,-4.75,;.21,-4.75,;-.12,-6.71,;-1.44,-5.92,;-1.44,-4.35,;-2.78,-6.69,;-4.13,-5.94,;-5.46,-6.72,;-5.46,-8.27,;-6.8,-5.95,;-5.81,-4.75,;-7.81,-4.75,;-8.19,-6.73,;-2.78,-8.24,;-1.44,-9.01,;-4.14,-9.01,;9.12,-4.26,;10.43,-3.51,;7.81,-3.5,;7.79,-1.99,;22.41,-5.93,;22.35,-4.39,;23.77,-6.64,;25.09,-5.86,;25.09,-4.32,;26.31,-3.39,;27.77,-3.8,;28.64,-2.52,;27.68,-1.31,;26.24,-1.85,;26.43,-6.63,;26.43,-8.18,;27.77,-5.87,;29.13,-6.6,;29.13,-8.14,;27.8,-8.91,;27.81,-10.45,;29.15,-11.22,;26.47,-11.22,;30.46,-5.83,;30.46,-4.29,;31.8,-6.59,;33.13,-5.8,;34.47,-6.55,;34.5,-8.09,;33.19,-8.89,;33.22,-10.42,;31.92,-11.24,;31.97,-12.78,;33.32,-13.57,;30.61,-13.61,;33.1,-4.27,;34.42,-3.48,;31.75,-3.52,)| Show InChI InChI=1S/C59H103N19O15/c1-12-14-17-35(47(84)74-40(27-33-28-66-29-68-33)52(89)71-36(19-22-41(60)79)48(85)69-34(46(62)83)18-15-16-25-67-57(63)64)70-51(88)39(26-30(3)4)73-49(86)37(20-23-42(61)80)72-53(90)45(32(7)13-2)76-50(87)38(21-24-43(81)82)75-56(93)59(10,11)78-54(91)44(31(5)6)77-55(92)58(8,9)65/h28-32,34-40,44-45H,12-27,65H2,1-11H3,(H2,60,79)(H2,61,80)(H2,62,83)(H,66,68)(H,69,85)(H,70,88)(H,71,89)(H,72,90)(H,73,86)(H,74,84)(H,75,93)(H,76,87)(H,77,92)(H,78,91)(H,81,82)(H4,63,64,67)/t32-,34-,35-,36-,37-,38-,39-,40-,44-,45-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant PTHR1 expressed in HEK293 cells co-transfected with CRE-Luc assessed as increase of adenylyl-cyclase activity after 4... |
J Med Chem 53: 8072-9 (2010)
Article DOI: 10.1021/jm1008264
BindingDB Entry DOI: 10.7270/Q2GM87KQ |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50511178
(CHEMBL4473665)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NC(CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115?,116-,117-,118-,119-,120-,121-,122-,123-,124?,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human PTHR1 expressed in pig LLC-PK1 cells assessed as increase in cAMP production measured after 20 mins by EIA |
J Med Chem 63: 5089-5099 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01743
BindingDB Entry DOI: 10.7270/Q2RV0S11 |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50318885
(CHEMBL525610 | teriparatide)Show SMILES [H][C@](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human PTHR1 expressed in HKRKB7 cells assessed as accumulation of intracellular cAMP after 20 mins by enzyme immunoassay |
J Med Chem 61: 5949-5962 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00182
BindingDB Entry DOI: 10.7270/Q2ZC85GG |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246296
(CHEMBL4098506)Show SMILES CC[C@H](C)[C@@H](CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C |r| Show InChI InChI=1S/C182H294N56O50S2/c1-21-97(18)118(219-158(266)114(47-52-143(251)252)215-177(285)134(85-241)235-180(288)146(94(12)13)236-150(258)104(186)83-239)76-140(247)207-111(44-49-135(187)242)156(264)223-122(65-91(6)7)166(274)216-117(55-62-290-20)162(270)228-127(71-101-80-198-87-205-101)170(278)231-130(74-138(190)245)173(281)221-120(63-89(2)3)151(259)203-82-141(248)208-106(39-27-30-56-183)152(260)227-126(70-100-79-197-86-204-100)169(277)225-124(67-93(10)11)167(275)229-131(75-139(191)246)174(282)234-133(84-240)176(284)217-116(54-61-289-19)161(269)213-113(46-51-142(249)250)157(265)211-110(43-34-60-201-182(195)196)163(271)237-147(95(14)15)178(286)218-115(48-53-144(253)254)160(268)226-125(69-99-78-202-105-38-26-25-37-103(99)105)168(276)224-123(66-92(8)9)164(272)212-109(42-33-59-200-181(193)194)154(262)209-107(40-28-31-57-184)153(261)210-108(41-29-32-58-185)155(263)222-121(64-90(4)5)165(273)214-112(45-50-136(188)243)159(267)232-132(77-145(255)256)175(283)238-148(96(16)17)179(287)233-128(72-102-81-199-88-206-102)171(279)230-129(73-137(189)244)172(280)220-119(149(192)257)68-98-35-23-22-24-36-98/h22-26,35-38,78-81,86-97,104,106-134,146-148,202,239-241H,21,27-34,39-77,82-85,183-186H2,1-20H3,(H2,187,242)(H2,188,243)(H2,189,244)(H2,190,245)(H2,191,246)(H2,192,257)(H,197,204)(H,198,205)(H,199,206)(H,203,259)(H,207,247)(H,208,248)(H,209,262)(H,210,261)(H,211,265)(H,212,272)(H,213,269)(H,214,273)(H,215,285)(H,216,274)(H,217,284)(H,218,286)(H,219,266)(H,220,280)(H,221,281)(H,222,263)(H,223,264)(H,224,276)(H,225,277)(H,226,268)(H,227,260)(H,228,270)(H,229,275)(H,230,279)(H,231,278)(H,232,267)(H,233,287)(H,234,282)(H,235,288)(H,236,258)(H,237,271)(H,238,283)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,193,194,200)(H4,195,196,201)/t97-,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,146-,147-,148-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246386
(CHEMBL4059923)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C184H292N56O49S2/c1-90(2)67-123(224-175(282)132(77-140(192)246)233-172(279)129(74-100-82-200-88-207-100)230-165(272)120(58-65-290-15)213-153(260)105-38-30-45-109(105)210-159(266)115(48-53-137(189)243)212-152(259)104-37-29-44-108(104)211-160(267)117(50-55-143(249)250)220-179(286)136(86-242)237-182(289)147(94(9)10)238-151(258)103-36-28-39-106(103)188)154(261)205-84-142(248)209-110(41-22-25-60-185)155(262)229-128(73-99-81-199-87-206-99)171(278)227-126(70-93(7)8)169(276)231-133(78-141(193)247)176(283)236-135(85-241)178(285)221-121(59-66-291-16)164(271)218-118(51-56-144(251)252)161(268)216-114(47-32-64-203-184(197)198)166(273)239-148(95(11)12)180(287)222-119(52-57-145(253)254)163(270)228-127(72-98-80-204-107-40-21-20-35-102(98)107)170(277)226-125(69-92(5)6)167(274)217-113(46-31-63-202-183(195)196)157(264)214-111(42-23-26-61-186)156(263)215-112(43-24-27-62-187)158(265)225-124(68-91(3)4)168(275)219-116(49-54-138(190)244)162(269)234-134(79-146(255)256)177(284)240-149(96(13)14)181(288)235-130(75-101-83-201-89-208-101)173(280)232-131(76-139(191)245)174(281)223-122(150(194)257)71-97-33-18-17-19-34-97/h17-21,33-35,40,80-83,87-96,103-106,108-136,147-149,204,241-242H,22-32,36-39,41-79,84-86,185-188H2,1-16H3,(H2,189,243)(H2,190,244)(H2,191,245)(H2,192,246)(H2,193,247)(H2,194,257)(H,199,206)(H,200,207)(H,201,208)(H,205,261)(H,209,248)(H,210,266)(H,211,267)(H,212,259)(H,213,260)(H,214,264)(H,215,263)(H,216,268)(H,217,274)(H,218,271)(H,219,275)(H,220,286)(H,221,285)(H,222,287)(H,223,281)(H,224,282)(H,225,265)(H,226,277)(H,227,278)(H,228,270)(H,229,262)(H,230,272)(H,231,276)(H,232,280)(H,233,279)(H,234,269)(H,235,288)(H,236,283)(H,237,289)(H,238,258)(H,239,273)(H,240,284)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,195,196,202)(H4,197,198,203)/t103-,104-,105-,106-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,147-,148-,149-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246336
(CHEMBL4106305)Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)CC(N)=O |r| Show InChI InChI=1S/C180H312N56O49/c1-26-99(20)148(233-140(247)78-110(85-237)209-152(261)112(41-30-34-58-184)212-141(248)84-201-151(260)111(40-29-33-57-183)216-169(278)131(80-146(257)258)231-168(277)128(72-108-82-196-88-203-108)228-166(275)125(68-96(14)15)225-165(274)124(67-95(12)13)223-157(266)116(46-50-133(186)240)219-167(276)127(71-107-81-195-87-202-107)227-159(268)119(49-54-144(253)254)221-171(280)132(86-238)232-173(282)147(98(18)19)234-150(259)101(22)185)174(283)222-117(47-51-134(187)241)158(267)230-130(79-145(255)256)160(269)208-106(62-90(2)3)77-139(246)211-113(42-35-59-198-177(189)190)155(264)218-115(44-37-61-200-179(193)194)156(265)217-114(43-36-60-199-178(191)192)153(262)207-105(45-52-142(249)250)76-138(245)215-120(63-91(4)5)161(270)224-123(66-94(10)11)164(273)220-118(48-53-143(251)252)154(263)206-103(38-27-31-55-181)74-136(243)213-121(64-92(6)7)162(271)226-126(69-97(16)17)172(281)236-180(24,25)176(285)210-104(39-28-32-56-182)75-137(244)214-122(65-93(8)9)163(272)229-129(73-109-83-197-89-204-109)170(279)235-149(102(23)239)175(284)205-100(21)70-135(188)242/h81-83,87-106,110-132,147-149,237-239H,26-80,84-86,181-185H2,1-25H3,(H2,186,240)(H2,187,241)(H2,188,242)(H,195,202)(H,196,203)(H,197,204)(H,201,260)(H,205,284)(H,206,263)(H,207,262)(H,208,269)(H,209,261)(H,210,285)(H,211,246)(H,212,248)(H,213,243)(H,214,244)(H,215,245)(H,216,278)(H,217,265)(H,218,264)(H,219,276)(H,220,273)(H,221,280)(H,222,283)(H,223,266)(H,224,270)(H,225,274)(H,226,271)(H,227,268)(H,228,275)(H,229,272)(H,230,267)(H,231,277)(H,232,282)(H,233,247)(H,234,259)(H,235,279)(H,236,281)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t99-,100-,101-,102+,103-,104-,105-,106-,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,147-,148-,149-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50517884
(CHEMBL439458)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](\C=C(/F)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O Show InChI InChI=1S/C190H306FN57O50S2/c1-25-101(20)154(248-169(279)122(52-57-149(261)262)224-183(293)139(87-249)243-156(266)110(97(12)13)77-111(191)102(21)195)188(298)228-119(49-54-142(197)252)164(274)231-127(69-94(6)7)172(282)225-124(59-66-300-24)167(277)237-133(75-107-84-207-90-214-107)176(286)239-135(78-143(198)253)178(288)229-125(67-92(2)3)157(267)212-86-146(256)217-113(43-31-34-60-192)158(268)236-132(74-106-83-206-89-213-106)175(285)233-129(71-96(10)11)173(283)238-137(80-145(200)255)180(290)244-140(88-250)184(294)226-123(58-65-299-23)166(276)222-120(50-55-147(257)258)162(272)220-117(47-38-64-210-190(204)205)168(278)245-152(99(16)17)186(296)227-121(51-56-148(259)260)165(275)235-131(73-105-82-211-112-42-30-29-41-109(105)112)174(284)232-128(70-95(8)9)170(280)221-116(46-37-63-209-189(202)203)160(270)218-114(44-32-35-61-193)159(269)219-115(45-33-36-62-194)161(271)230-126(68-93(4)5)171(281)223-118(48-53-141(196)251)163(273)241-138(81-150(263)264)182(292)247-153(100(18)19)187(297)242-134(76-108-85-208-91-215-108)177(287)240-136(79-144(199)254)179(289)234-130(72-104-39-27-26-28-40-104)181(291)246-151(98(14)15)185(295)216-103(22)155(201)265/h26-30,39-42,77,82-85,89-103,110,113-140,151-154,211,249-250H,25,31-38,43-76,78-81,86-88,192-195H2,1-24H3,(H2,196,251)(H2,197,252)(H2,198,253)(H2,199,254)(H2,200,255)(H2,201,265)(H,206,213)(H,207,214)(H,208,215)(H,212,267)(H,216,295)(H,217,256)(H,218,270)(H,219,269)(H,220,272)(H,221,280)(H,222,276)(H,223,281)(H,224,293)(H,225,282)(H,226,294)(H,227,296)(H,228,298)(H,229,288)(H,230,271)(H,231,274)(H,232,284)(H,233,285)(H,234,289)(H,235,275)(H,236,268)(H,237,277)(H,238,283)(H,239,286)(H,240,287)(H,241,273)(H,242,297)(H,243,266)(H,244,290)(H,245,278)(H,246,291)(H,247,292)(H,248,279)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H4,202,203,209)(H4,204,205,210)/b111-77-/t101-,102-,103-,110-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,151-,152-,153-,154-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PTH receptor expressed in OK-1 cells assessed as increase in cAMP production |
J Med Chem 61: 5822-5880 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01788
BindingDB Entry DOI: 10.7270/Q232008T |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50246418
(CHEMBL4091191)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H294N56O50S2/c1-21-97(18)148(238-163(271)112(46-51-141(249)250)208-139(247)73-103(83-239)207-177(285)145(94(12)13)235-150(258)105(186)84-240)180(288)219-114(45-50-135(188)243)158(266)223-122(65-91(6)7)166(274)216-118(55-62-290-20)161(269)228-127(71-101-80-198-87-205-101)170(278)231-130(75-137(190)245)173(281)221-120(63-89(2)3)151(259)203-82-140(248)209-107(39-27-30-56-183)152(260)227-126(70-100-79-197-86-204-100)169(277)225-124(67-93(10)11)167(275)229-131(76-138(191)246)174(282)234-133(85-241)176(284)217-117(54-61-289-19)160(268)214-115(47-52-142(251)252)156(264)212-111(43-34-60-201-182(195)196)162(270)236-146(95(14)15)178(286)218-116(48-53-143(253)254)159(267)226-125(69-99-78-202-106-38-26-25-37-104(99)106)168(276)224-123(66-92(8)9)164(272)213-110(42-33-59-200-181(193)194)154(262)210-108(40-28-31-57-184)153(261)211-109(41-29-32-58-185)155(263)222-121(64-90(4)5)165(273)215-113(44-49-134(187)242)157(265)232-132(77-144(255)256)175(283)237-147(96(16)17)179(287)233-128(72-102-81-199-88-206-102)171(279)230-129(74-136(189)244)172(280)220-119(149(192)257)68-98-35-23-22-24-36-98/h22-26,35-38,78-81,86-97,103,105,107-133,145-148,202,239-241H,21,27-34,39-77,82-85,183-186H2,1-20H3,(H2,187,242)(H2,188,243)(H2,189,244)(H2,190,245)(H2,191,246)(H2,192,257)(H,197,204)(H,198,205)(H,199,206)(H,203,259)(H,207,285)(H,208,247)(H,209,248)(H,210,262)(H,211,261)(H,212,264)(H,213,272)(H,214,268)(H,215,273)(H,216,274)(H,217,284)(H,218,286)(H,219,288)(H,220,280)(H,221,281)(H,222,263)(H,223,266)(H,224,276)(H,225,277)(H,226,267)(H,227,260)(H,228,269)(H,229,275)(H,230,279)(H,231,278)(H,232,265)(H,233,287)(H,234,282)(H,235,258)(H,236,270)(H,237,283)(H,238,271)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,193,194,200)(H4,195,196,201)/t97-,103+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,145-,146-,147-,148-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene ... |
J Med Chem 60: 8816-8833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00876
BindingDB Entry DOI: 10.7270/Q2FX7CWT |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50517885
(CHEMBL424859)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)\C=C(/Cl)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O Show InChI InChI=1S/C188H302ClN57O50S2/c1-24-99(18)152(246-167(277)120(51-56-147(259)260)222-181(291)137(86-247)241-154(264)100(19)71-109(189)101(20)193)186(296)226-117(48-53-140(195)250)162(272)229-125(68-93(6)7)170(280)223-122(58-65-298-23)165(275)235-131(75-106-83-205-89-212-106)174(284)237-133(77-141(196)251)176(286)227-123(66-91(2)3)155(265)210-85-144(254)215-111(42-30-33-59-190)156(266)234-130(74-105-82-204-88-211-105)173(283)231-127(70-95(10)11)171(281)236-135(79-143(198)253)178(288)242-138(87-248)182(292)224-121(57-64-297-22)164(274)220-118(49-54-145(255)256)160(270)218-115(46-37-63-208-188(202)203)166(276)243-150(97(14)15)184(294)225-119(50-55-146(257)258)163(273)233-129(73-104-81-209-110-41-29-28-40-108(104)110)172(282)230-126(69-94(8)9)168(278)219-114(45-36-62-207-187(200)201)158(268)216-112(43-31-34-60-191)157(267)217-113(44-32-35-61-192)159(269)228-124(67-92(4)5)169(279)221-116(47-52-139(194)249)161(271)239-136(80-148(261)262)180(290)245-151(98(16)17)185(295)240-132(76-107-84-206-90-213-107)175(285)238-134(78-142(197)252)177(287)232-128(72-103-38-26-25-27-39-103)179(289)244-149(96(12)13)183(293)214-102(21)153(199)263/h25-29,38-41,71,81-84,88-102,111-138,149-152,209,247-248H,24,30-37,42-70,72-80,85-87,190-193H2,1-23H3,(H2,194,249)(H2,195,250)(H2,196,251)(H2,197,252)(H2,198,253)(H2,199,263)(H,204,211)(H,205,212)(H,206,213)(H,210,265)(H,214,293)(H,215,254)(H,216,268)(H,217,267)(H,218,270)(H,219,278)(H,220,274)(H,221,279)(H,222,291)(H,223,280)(H,224,292)(H,225,294)(H,226,296)(H,227,286)(H,228,269)(H,229,272)(H,230,282)(H,231,283)(H,232,287)(H,233,273)(H,234,266)(H,235,275)(H,236,281)(H,237,284)(H,238,285)(H,239,271)(H,240,295)(H,241,264)(H,242,288)(H,243,276)(H,244,289)(H,245,290)(H,246,277)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H4,200,201,207)(H4,202,203,208)/b109-71-/t99-,100+,101-,102-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,149-,150-,151-,152-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PTH receptor expressed in OK-1 cells assessed as increase in cAMP production |
J Med Chem 61: 5822-5880 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01788
BindingDB Entry DOI: 10.7270/Q232008T |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269978
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Fl...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:62.61,8.12,81.81,97.97,25.25,wD:55.55,44.44,4.4,29.34,92.93,72.72,130.134,16.21,(17.08,-55.29,;15.74,-54.54,;15.72,-53,;14.37,-52.25,;14.35,-50.72,;13.05,-49.9,;11.68,-50.63,;11.69,-52.18,;10.41,-49.76,;10.41,-48.21,;11.75,-47.44,;11.75,-45.89,;13.08,-48.22,;9.18,-50.66,;7.82,-49.93,;7.82,-48.38,;6.54,-50.81,;6.54,-52.35,;7.88,-53.13,;7.88,-54.66,;6.54,-55.44,;9.21,-55.44,;5.33,-49.91,;3.96,-50.65,;3.97,-52.2,;2.68,-49.78,;1.46,-50.68,;.1,-49.96,;.11,-48.4,;-1.17,-50.82,;-1.17,-52.37,;.16,-53.14,;.16,-54.68,;-1.17,-55.47,;1.5,-55.47,;-2.39,-49.93,;-3.75,-50.66,;-3.74,-52.21,;-5.02,-49.78,;-4.21,-48.48,;-5.88,-51.07,;-6.33,-49.03,;-6.37,-47.49,;-5.03,-46.73,;-7.78,-46.8,;-7.77,-45.29,;-9.18,-44.63,;-10.4,-45.56,;-9.17,-43.1,;-7.63,-43.08,;-10.7,-43.12,;-9.19,-41.56,;-9.11,-47.57,;-9.14,-49.11,;-10.44,-46.79,;2.68,-48.23,;4.02,-47.46,;1.34,-47.45,;1.33,-45.91,;15.54,-49.93,;15.55,-48.38,;16.91,-50.66,;18.13,-49.76,;18.13,-48.22,;19.47,-47.44,;20.94,-47.94,;21.86,-46.7,;20.97,-45.43,;19.48,-45.89,;19.42,-50.64,;19.42,-52.19,;20.78,-49.91,;22,-50.8,;22,-52.35,;23.33,-53.12,;23.33,-54.66,;22,-55.44,;24.68,-55.43,;23.28,-49.93,;23.29,-48.38,;24.65,-50.66,;25.87,-49.77,;25.87,-48.22,;27.21,-47.45,;27.21,-45.9,;28.54,-45.13,;28.54,-43.6,;29.87,-42.83,;27.21,-42.83,;27.15,-50.64,;27.15,-52.19,;28.51,-49.91,;29.72,-50.81,;29.73,-52.35,;31.01,-49.93,;31.01,-48.38,;32.36,-50.66,;33.68,-49.87,;33.68,-48.34,;32.34,-47.58,;32.33,-46.04,;31,-45.28,;30.97,-43.74,;32.28,-42.95,;33.63,-43.7,;32.25,-41.42,;30.72,-41.45,;29.92,-40.13,;30.67,-38.78,;32.2,-38.76,;32.99,-40.08,;34.52,-40.06,;35.27,-38.71,;34.48,-37.39,;35.23,-36.05,;36.77,-36.03,;37.52,-34.69,;37.56,-37.34,;36.82,-38.69,;37.62,-40.01,;36.85,-41.36,;37.65,-42.68,;36.89,-44.03,;37.67,-45.35,;35.35,-44.05,;34.56,-42.72,;35.31,-41.38,;35.02,-50.64,;35.03,-52.17,;36.35,-49.86,;37.68,-50.62,;37.69,-52.15,;39.03,-52.92,;39.02,-54.45,;40.36,-55.21,;41.69,-54.44,;43.02,-55.2,;41.67,-52.89,;40.34,-52.14,;39.01,-49.84,;40.34,-50.6,;39,-48.31,)| Show InChI InChI=1S/C96H137N23O23/c1-13-15-23-62(110-88(136)69(42-49(3)4)114-86(134)66(35-38-74(98)124)112-90(138)78(51(7)14-2)117-87(135)67(36-39-75(125)126)116-93(141)96(11,12)119-91(139)77(50(5)6)118-92(140)95(9,10)102)84(132)115-70(44-54-47-103-48-106-54)89(137)111-65(34-37-73(97)123)85(133)109-64(25-20-41-105-94(100)101)82(130)107-52(8)80(128)108-63(83(131)113-68(79(99)127)43-53-26-28-55(120)29-27-53)24-18-19-40-104-81(129)59-22-17-16-21-58(59)76-60-32-30-56(121)45-71(60)142-72-46-57(122)31-33-61(72)76/h16-17,21-22,26-33,45-52,62-70,77-78,120-121H,13-15,18-20,23-25,34-44,102H2,1-12H3,(H2,97,123)(H2,98,124)(H2,99,127)(H,103,106)(H,104,129)(H,107,130)(H,108,128)(H,109,133)(H,110,136)(H,111,137)(H,112,138)(H,113,131)(H,114,134)(H,115,132)(H,116,141)(H,117,135)(H,118,140)(H,119,139)(H,125,126)(H4,100,101,105)/t51-,52-,62-,63-,64-,65-,66-,67-,68-,69-,70-,77-,78-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in SAOS2 cells assessed as cAMP formation |
Proc Natl Acad Sci U S A 104: 6846-51 (2007)
Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50517918
(CHEMBL276472)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](\C=C(/Cl)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O Show InChI InChI=1S/C190H306ClN57O50S2/c1-25-101(20)154(248-169(279)122(52-57-149(261)262)224-183(293)139(87-249)243-156(266)110(97(12)13)77-111(191)102(21)195)188(298)228-119(49-54-142(197)252)164(274)231-127(69-94(6)7)172(282)225-124(59-66-300-24)167(277)237-133(75-107-84-207-90-214-107)176(286)239-135(78-143(198)253)178(288)229-125(67-92(2)3)157(267)212-86-146(256)217-113(43-31-34-60-192)158(268)236-132(74-106-83-206-89-213-106)175(285)233-129(71-96(10)11)173(283)238-137(80-145(200)255)180(290)244-140(88-250)184(294)226-123(58-65-299-23)166(276)222-120(50-55-147(257)258)162(272)220-117(47-38-64-210-190(204)205)168(278)245-152(99(16)17)186(296)227-121(51-56-148(259)260)165(275)235-131(73-105-82-211-112-42-30-29-41-109(105)112)174(284)232-128(70-95(8)9)170(280)221-116(46-37-63-209-189(202)203)160(270)218-114(44-32-35-61-193)159(269)219-115(45-33-36-62-194)161(271)230-126(68-93(4)5)171(281)223-118(48-53-141(196)251)163(273)241-138(81-150(263)264)182(292)247-153(100(18)19)187(297)242-134(76-108-85-208-91-215-108)177(287)240-136(79-144(199)254)179(289)234-130(72-104-39-27-26-28-40-104)181(291)246-151(98(14)15)185(295)216-103(22)155(201)265/h26-30,39-42,77,82-85,89-103,110,113-140,151-154,211,249-250H,25,31-38,43-76,78-81,86-88,192-195H2,1-24H3,(H2,196,251)(H2,197,252)(H2,198,253)(H2,199,254)(H2,200,255)(H2,201,265)(H,206,213)(H,207,214)(H,208,215)(H,212,267)(H,216,295)(H,217,256)(H,218,270)(H,219,269)(H,220,272)(H,221,280)(H,222,276)(H,223,281)(H,224,293)(H,225,282)(H,226,294)(H,227,296)(H,228,298)(H,229,288)(H,230,271)(H,231,274)(H,232,284)(H,233,285)(H,234,289)(H,235,275)(H,236,268)(H,237,277)(H,238,283)(H,239,286)(H,240,287)(H,241,273)(H,242,297)(H,243,266)(H,244,290)(H,245,278)(H,246,291)(H,247,292)(H,248,279)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H4,202,203,209)(H4,204,205,210)/b111-77-/t101-,102-,103-,110-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,151-,152-,153-,154-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PTH receptor expressed in OK-1 cells assessed as increase in cAMP production |
J Med Chem 61: 5822-5880 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01788
BindingDB Entry DOI: 10.7270/Q232008T |
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Ligand-Target Pair | |
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