Found 47 hits with Last Name = 'dutertre' and Initial = 's' 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 |
|---|
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517283
(CHEMBL425281)Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-135(225)103(75-197)171-115(204)73-154)137(227)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)190-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517281
(CHEMBL4517399)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C190H314N64O58S4/c1-19-21-41-102(192)148(276)252-145(98(18)262)182(310)254-68-37-51-131(254)174(302)237-118(72-99-38-23-22-24-39-99)161(289)234-119(73-100-76-215-103-42-26-25-40-101(100)103)162(290)221-104(44-29-60-208-184(194)195)149(277)216-78-135(265)247-140(91(9)10)178(306)242-125(82-258)167(295)232-115(69-88(3)4)158(286)229-113(50-35-66-214-190(206)207)181(309)253-67-36-52-132(253)175(303)249-142(93(13)20-2)176(304)217-77-134(264)218-94(14)146(274)238-122(79-255)168(296)246-128-85-314-313-84-127-170(298)225-107(46-31-62-210-186(198)199)152(280)222-105(43-27-28-59-191)150(278)223-106(45-30-61-209-185(196)197)151(279)224-109(48-33-64-212-188(202)203)155(283)243-129(172(300)241-124(81-257)166(294)233-116(70-89(5)6)159(287)240-126(83-259)169(297)248-141(92(11)12)177(305)219-95(15)147(275)220-111(53-56-133(193)263)156(284)230-114(183(311)312)55-58-137(268)269)86-315-316-87-130(173(301)250-144(97(17)261)180(308)251-143(96(16)260)179(307)228-110(49-34-65-213-189(204)205)154(282)231-117(71-90(7)8)160(288)245-127)244-157(285)112(54-57-136(266)267)227-165(293)123(80-256)239-164(292)121(75-139(272)273)236-163(291)120(74-138(270)271)235-153(281)108(226-171(128)299)47-32-63-211-187(200)201/h22-26,38-40,42,76,88-98,102,104-132,140-145,215,255-262H,19-21,27-37,41,43-75,77-87,191-192H2,1-18H3,(H2,193,263)(H,216,277)(H,217,304)(H,218,264)(H,219,305)(H,220,275)(H,221,290)(H,222,280)(H,223,278)(H,224,279)(H,225,298)(H,226,299)(H,227,293)(H,228,307)(H,229,286)(H,230,284)(H,231,282)(H,232,295)(H,233,294)(H,234,289)(H,235,281)(H,236,291)(H,237,302)(H,238,274)(H,239,292)(H,240,287)(H,241,300)(H,242,306)(H,243,283)(H,244,285)(H,245,288)(H,246,296)(H,247,265)(H,248,297)(H,249,303)(H,250,301)(H,251,308)(H,252,276)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,311,312)(H4,194,195,208)(H4,196,197,209)(H4,198,199,210)(H4,200,201,211)(H4,202,203,212)(H4,204,205,213)(H4,206,207,214)/t93-,94+,95-,96+,97+,98+,102-,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-,143-,144-,145-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517280
(CHEMBL4463042)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C68H106N20O14/c1-7-8-21-43(69)57(93)86-55(39(6)90)66(102)88-30-17-26-52(88)63(99)83-48(32-40-18-10-9-11-19-40)60(96)82-49(33-41-34-77-44-22-13-12-20-42(41)44)61(97)79-45(23-14-27-75-67(71)72)58(94)78-35-53(91)85-54(38(4)5)64(100)84-50(36-89)62(98)81-47(31-37(2)3)59(95)80-46(24-15-28-76-68(73)74)65(101)87-29-16-25-51(87)56(70)92/h9-13,18-20,22,34,37-39,43,45-52,54-55,77,89-90H,7-8,14-17,21,23-33,35-36,69H2,1-6H3,(H2,70,92)(H,78,94)(H,79,97)(H,80,95)(H,81,98)(H,82,96)(H,83,99)(H,84,100)(H,85,91)(H,86,93)(H4,71,72,75)(H4,73,74,76)/t39-,43+,45+,46+,47+,48+,49+,50+,51+,52+,54+,55+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517278
(CHEMBL4475293)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C76H120N22O16/c1-9-11-24-48(77)63(103)96-62(44(8)100)74(114)98-33-20-28-56(98)69(109)92-53(35-45-21-13-12-14-22-45)66(106)91-54(36-46-37-85-49-25-16-15-23-47(46)49)67(107)88-50(26-17-30-83-75(79)80)64(104)87-39-59(102)94-60(42(5)6)72(112)93-55(40-99)68(108)90-52(34-41(3)4)65(105)89-51(27-18-31-84-76(81)82)73(113)97-32-19-29-57(97)70(110)95-61(43(7)10-2)71(111)86-38-58(78)101/h12-16,21-23,25,37,41-44,48,50-57,60-62,85,99-100H,9-11,17-20,24,26-36,38-40,77H2,1-8H3,(H2,78,101)(H,86,111)(H,87,104)(H,88,107)(H,89,105)(H,90,108)(H,91,106)(H,92,109)(H,93,112)(H,94,102)(H,95,110)(H,96,103)(H4,79,80,83)(H4,81,82,84)/t43-,44+,48-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517279
(CHEMBL4456830)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C57H87N15O12/c1-7-8-19-37(58)49(77)71-47(33(6)74)56(84)72-24-15-22-44(72)54(82)68-41(26-34-16-10-9-11-17-34)51(79)67-42(27-35-28-63-38-20-13-12-18-36(35)38)52(80)65-39(21-14-23-62-57(60)61)50(78)64-29-45(75)70-46(32(4)5)55(83)69-43(30-73)53(81)66-40(48(59)76)25-31(2)3/h9-13,16-18,20,28,31-33,37,39-44,46-47,63,73-74H,7-8,14-15,19,21-27,29-30,58H2,1-6H3,(H2,59,76)(H,64,78)(H,65,80)(H,66,81)(H,67,79)(H,68,82)(H,69,83)(H,70,75)(H,71,77)(H4,60,61,62)/t33-,37+,39+,40+,41+,42+,43+,44+,46+,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517282
(CHEMBL4556887)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C76H119N21O17/c1-9-11-24-48(77)63(103)95-62(44(8)99)74(114)97-33-20-28-56(97)69(109)91-53(35-45-21-13-12-14-22-45)66(106)90-54(36-46-37-84-49-25-16-15-23-47(46)49)67(107)87-50(26-17-30-82-75(78)79)64(104)85-38-58(100)93-60(42(5)6)72(112)92-55(40-98)68(108)89-52(34-41(3)4)65(105)88-51(27-18-31-83-76(80)81)73(113)96-32-19-29-57(96)70(110)94-61(43(7)10-2)71(111)86-39-59(101)102/h12-16,21-23,25,37,41-44,48,50-57,60-62,84,98-99H,9-11,17-20,24,26-36,38-40,77H2,1-8H3,(H,85,104)(H,86,111)(H,87,107)(H,88,105)(H,89,108)(H,90,106)(H,91,109)(H,92,112)(H,93,100)(H,94,110)(H,95,103)(H,101,102)(H4,78,79,82)(H4,80,81,83)/t43-,44+,48-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50396915
(CHEMBL2170781)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r| Show InChI InChI=1S/C51H67N9O6/c1-31(2)25-41(46(54)61)56-48(63)42(26-32(3)4)58-51(66)45(29-36-30-55-40-23-11-10-21-38(36)40)60-49(64)43(27-33-15-6-5-7-16-33)59-50(65)44(57-47(62)39(53)22-12-13-24-52)28-35-19-14-18-34-17-8-9-20-37(34)35/h5-11,14-21,23,30-32,39,41-45,55H,12-13,22,24-29,52-53H2,1-4H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,66)(H,59,65)(H,60,64)/t39-,41-,42-,43-,44+,45+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517277
(CHEMBL4541252)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C48H71N13O9/c1-5-6-17-32(49)42(65)60-40(28(4)62)47(70)61-22-13-20-37(61)46(69)58-35(23-29-14-8-7-9-15-29)44(67)57-36(24-30-25-54-33-18-11-10-16-31(30)33)45(68)56-34(19-12-21-53-48(51)52)43(66)55-26-38(63)59-39(27(2)3)41(50)64/h7-11,14-16,18,25,27-28,32,34-37,39-40,54,62H,5-6,12-13,17,19-24,26,49H2,1-4H3,(H2,50,64)(H,55,66)(H,56,68)(H,57,67)(H,58,69)(H,59,63)(H,60,65)(H4,51,52,53)/t28-,32+,34+,35+,36+,37+,39+,40+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253820
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C68H100N18O23S4/c1-31(2)19-36-55(95)76-38(22-50(70)89)57(97)79-41(23-51(71)90)66(106)84-16-6-9-47(84)63(103)77-39(24-53(92)93)58(98)75-37(21-34-12-14-35(88)15-13-34)56(96)83-46(68(108)109)30-113-112-29-45-62(102)80-42(26-87)59(99)78-40(20-32(3)4)65(105)86-18-8-11-49(86)67(107)85-17-7-10-48(85)64(104)82-44(60(100)72-33(5)54(94)74-36)28-111-110-27-43(61(101)81-45)73-52(91)25-69/h12-15,31-33,36-49,87-88H,6-11,16-30,69H2,1-5H3,(H2,70,89)(H2,71,90)(H,72,100)(H,73,91)(H,74,94)(H,75,98)(H,76,95)(H,77,103)(H,78,99)(H,79,97)(H,80,102)(H,81,101)(H,82,104)(H,83,96)(H,92,93)(H,108,109)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517284
(CHEMBL4581511)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C41H59N11O7/c1-3-4-15-28(42)36(55)51-34(24(2)53)40(59)52-20-11-18-33(52)39(58)50-31(21-25-12-6-5-7-13-25)37(56)49-32(22-26-23-47-29-16-9-8-14-27(26)29)38(57)48-30(35(43)54)17-10-19-46-41(44)45/h5-9,12-14,16,23-24,28,30-34,47,53H,3-4,10-11,15,17-22,42H2,1-2H3,(H2,43,54)(H,48,57)(H,49,56)(H,50,58)(H,51,55)(H4,44,45,46)/t24-,28+,30+,31+,32+,33+,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50260268
(CHEMBL501261 | rPKPfQwFwLL-NH2)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCN=C(N)N)C(N)=O |r,wU:91.97,75.80,55.65,41.56,82.94,30.40,16.28,64.77,8.12,wD:98.106,4.4,(32.88,-5.76,;32.94,-4.22,;34.29,-3.5,;31.62,-3.41,;31.68,-1.87,;30.37,-1.06,;29.01,-1.78,;28.96,-3.32,;27.71,-.97,;27.76,.56,;29.12,1.29,;29.17,2.83,;30.43,.48,;26.35,-1.69,;25.04,-.88,;25.1,.66,;23.69,-1.6,;23.63,-3.15,;24.94,-3.96,;26.37,-3.38,;27.35,-4.56,;26.54,-5.87,;26.96,-7.34,;25.9,-8.45,;24.4,-8.08,;23.97,-6.6,;25.05,-5.49,;22.38,-.79,;21.02,-1.51,;20.96,-3.05,;19.71,-.7,;19.76,.84,;21.12,1.56,;22.43,.75,;23.78,1.47,;23.84,3.02,;22.53,3.83,;21.17,3.11,;18.35,-1.43,;17.04,-.62,;17.09,.93,;15.68,-1.35,;15.63,-2.87,;16.93,-3.7,;18.37,-3.12,;19.35,-4.3,;18.54,-5.61,;18.97,-7.08,;17.9,-8.18,;16.4,-7.82,;15.97,-6.33,;17.04,-5.23,;14.38,-.52,;13,-1.22,;12.96,-2.76,;11.71,-.4,;11.75,1.13,;13.11,1.86,;13.16,3.4,;11.88,4.19,;14.52,4.12,;10.36,-1.15,;9.06,-.33,;9.1,1.22,;7.7,-1.05,;7.65,-2.58,;8.95,-3.4,;10.31,-2.68,;11.61,-3.49,;11.56,-5.03,;10.21,-5.76,;8.9,-4.94,;6.39,-.23,;5.03,-.95,;4.99,-2.49,;3.73,-.14,;3.87,1.41,;2.24,1.8,;1.35,.37,;2.44,-.91,;2.19,-2.43,;3.32,-3.48,;.73,-2.89,;-.6,-2.09,;-1.94,-2.83,;-3.26,-2.04,;-4.61,-2.78,;-5.93,-1.99,;.76,-4.43,;2.1,-5.19,;3.43,-4.4,;2.12,-6.72,;.73,-7.44,;1.29,-9.03,;2.96,-8.99,;3.46,-7.39,;4.8,-6.61,;4.78,-5.08,;6.14,-7.36,;7.47,-6.6,;6.16,-8.91,;7.48,-9.68,;7.48,-11.23,;8.8,-12.02,;8.78,-13.56,;7.44,-14.33,;10.1,-14.35,;33.03,-1.15,;34.35,-1.96,;33.09,.39,)| Show InChI InChI=1S/C79H109N19O12/c1-46(2)38-59(68(83)100)91-70(102)60(39-47(3)4)92-73(105)64(43-51-45-88-56-28-14-12-25-53(51)56)95-72(104)61(40-48-20-7-5-8-21-48)93-74(106)63(42-50-44-87-55-27-13-11-24-52(50)55)94-69(101)57(32-33-67(82)99)89-71(103)62(41-49-22-9-6-10-23-49)96-76(108)66-31-19-37-98(66)78(110)58(29-15-16-34-80)90-75(107)65-30-18-36-97(65)77(109)54(81)26-17-35-86-79(84)85/h5-14,20-25,27-28,44-47,54,57-66,87-88H,15-19,26,29-43,80-81H2,1-4H3,(H2,82,99)(H2,83,100)(H,89,103)(H,90,107)(H,91,102)(H,92,105)(H,93,106)(H,94,101)(H,95,104)(H,96,108)(H4,84,85,86)/t54-,57+,58+,59+,60+,61+,62-,63-,64-,65+,66+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253821
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(O)=O |r| Show InChI InChI=1S/C65H94N18O23S4/c1-29(2)18-37-62(102)83-17-7-10-46(83)64(104)82-16-6-9-45(82)61(101)79-41-26-108-107-25-40(71-49(88)23-66)58(98)78-42(59(99)77-39(24-84)56(96)75-37)27-109-110-28-43(65(105)106)80-53(93)34(19-32-11-13-33(85)14-12-32)73-55(95)36(22-50(89)90)74-60(100)44-8-5-15-81(44)63(103)38(21-48(68)87)76-54(94)35(20-47(67)86)72-52(92)31(4)69-51(91)30(3)70-57(41)97/h11-14,29-31,34-46,84-85H,5-10,15-28,66H2,1-4H3,(H2,67,86)(H2,68,87)(H,69,91)(H,70,97)(H,71,88)(H,72,92)(H,73,95)(H,74,100)(H,75,96)(H,76,94)(H,77,99)(H,78,98)(H,79,101)(H,80,93)(H,89,90)(H,105,106)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253825
((1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C59H91N17O21S4/c1-26(2)15-29-47(84)66-30(17-42(61)78)48(85)69-33(18-43(62)79)57(94)74-12-6-9-39(74)54(91)67-31(19-45(81)82)49(86)73-38(59(96)97)25-101-100-24-37-53(90)70-34(21-77)50(87)68-32(16-27(3)4)56(93)76-14-8-11-41(76)58(95)75-13-7-10-40(75)55(92)72-36(51(88)63-28(5)46(83)65-29)23-99-98-22-35(52(89)71-37)64-44(80)20-60/h26-41,77H,6-25,60H2,1-5H3,(H2,61,78)(H2,62,79)(H,63,88)(H,64,80)(H,65,83)(H,66,84)(H,67,91)(H,68,87)(H,69,85)(H,70,90)(H,71,89)(H,72,92)(H,73,86)(H,81,82)(H,96,97)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253823
((1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,39S,46R)-46...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C50H79N15O17S4/c1-22(2)12-25-40(71)57-26(14-36(52)67)41(72)58-27(15-37(53)68)42(73)63-33(50(81)82)21-86-85-20-32-46(77)60-29(17-66)43(74)59-28(13-23(3)4)48(79)65-11-7-9-35(65)49(80)64-10-6-8-34(64)47(78)62-31(44(75)54-24(5)39(70)56-25)19-84-83-18-30(45(76)61-32)55-38(69)16-51/h22-35,66H,6-21,51H2,1-5H3,(H2,52,67)(H2,53,68)(H,54,75)(H,55,69)(H,56,70)(H,57,71)(H,58,72)(H,59,74)(H,60,77)(H,61,76)(H,62,78)(H,63,73)(H,81,82)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253824
((1R,6R,9S,15S,18S,21S,24S,27R,30S,36S,42S,45S,50R)...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C55H86N16O18S4/c1-25(2)15-28-44(77)62-29(17-40(57)73)45(78)64-31(18-41(58)74)53(86)69-12-6-9-37(69)51(84)68-36(55(88)89)24-93-92-23-35-49(82)65-32(20-72)46(79)63-30(16-26(3)4)52(85)71-14-8-11-39(71)54(87)70-13-7-10-38(70)50(83)67-34(47(80)59-27(5)43(76)61-28)22-91-90-21-33(48(81)66-35)60-42(75)19-56/h25-39,72H,6-24,56H2,1-5H3,(H2,57,73)(H2,58,74)(H,59,80)(H,60,75)(H,61,76)(H,62,77)(H,63,79)(H,64,78)(H,65,82)(H,66,81)(H,67,83)(H,68,84)(H,88,89)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253822
((1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,43R)-43-(2-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C46H73N13O15S4/c1-21(2)12-24-37(64)52-25(14-34(48)61)38(65)57-31(46(73)74)20-78-77-19-30-42(69)54-27(16-60)39(66)53-26(13-22(3)4)44(71)59-11-7-9-33(59)45(72)58-10-6-8-32(58)43(70)56-29(40(67)49-23(5)36(63)51-24)18-76-75-17-28(41(68)55-30)50-35(62)15-47/h21-33,60H,6-20,47H2,1-5H3,(H2,48,61)(H,49,67)(H,50,62)(H,51,63)(H,52,64)(H,53,66)(H,54,69)(H,55,68)(H,56,70)(H,57,65)(H,73,74)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine receptor subunit delta
(Rattus norvegicus) | BDBM50547502
(CHEMBL4793300)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.184 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha1beta1epsilondelta expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current respons... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Rattus norvegicus (Rat)) | BDBM50547502
(CHEMBL4793300)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha3beta2 expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response at -70 mV ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT |
More data for this
Ligand-Target Pair | |
Acetylcholine receptor subunit gamma
(Rattus norvegicus) | BDBM50547502
(CHEMBL4793300)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat (alpha1)2betagammadelta expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current respons... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT |
More data for this
Ligand-Target Pair | |
Acetylcholine receptor subunit alpha/beta/delta/gamma
(Rattus norvegicus-RAT) | BDBM50547500
(CHEMBL4759352)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N1)NC(=O)[C@H](C)NC2=O)C(N)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat (alpha1)2betagammadelta expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current respons... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT |
More data for this
Ligand-Target Pair | |
Acetylcholine receptor subunit gamma
(Rattus norvegicus) | BDBM50547501
(CHEMBL4788244)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat (alpha1)2betagammadelta expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current respons... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT |
More data for this
Ligand-Target Pair | |
Acetylcholine receptor subunit gamma
(Rattus norvegicus) | BDBM50547503
(CHEMBL4753712)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat (alpha1)2betagammadelta expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current respons... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3
(Rattus norvegicus (Rat)) | BDBM50547502
(CHEMBL4793300)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha6alpha3beta2beta3 expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Rattus norvegicus (Rat)) | BDBM50547501
(CHEMBL4788244)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha3beta2 expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response at -70 mV ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Rattus norvegicus (Rat)) | BDBM50547503
(CHEMBL4753712)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha3beta2 expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response at -70 mV ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253820
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C68H100N18O23S4/c1-31(2)19-36-55(95)76-38(22-50(70)89)57(97)79-41(23-51(71)90)66(106)84-16-6-9-47(84)63(103)77-39(24-53(92)93)58(98)75-37(21-34-12-14-35(88)15-13-34)56(96)83-46(68(108)109)30-113-112-29-45-62(102)80-42(26-87)59(99)78-40(20-32(3)4)65(105)86-18-8-11-49(86)67(107)85-17-7-10-48(85)64(104)82-44(60(100)72-33(5)54(94)74-36)28-111-110-27-43(61(101)81-45)73-52(91)25-69/h12-15,31-33,36-49,87-88H,6-11,16-30,69H2,1-5H3,(H2,70,89)(H2,71,90)(H,72,100)(H,73,91)(H,74,94)(H,75,98)(H,76,95)(H,77,103)(H,78,99)(H,79,97)(H,80,102)(H,81,101)(H,82,104)(H,83,96)(H,92,93)(H,108,109)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Rattus norvegicus (Rat)) | BDBM50547500
(CHEMBL4759352)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N1)NC(=O)[C@H](C)NC2=O)C(N)=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha3beta2 expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response at -70 mV ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253824
((1R,6R,9S,15S,18S,21S,24S,27R,30S,36S,42S,45S,50R)...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C55H86N16O18S4/c1-25(2)15-28-44(77)62-29(17-40(57)73)45(78)64-31(18-41(58)74)53(86)69-12-6-9-37(69)51(84)68-36(55(88)89)24-93-92-23-35-49(82)65-32(20-72)46(79)63-30(16-26(3)4)52(85)71-14-8-11-39(71)54(87)70-13-7-10-38(70)50(83)67-34(47(80)59-27(5)43(76)61-28)22-91-90-21-33(48(81)66-35)60-42(75)19-56/h25-39,72H,6-24,56H2,1-5H3,(H2,57,73)(H2,58,74)(H,59,80)(H,60,75)(H,61,76)(H,62,77)(H,63,79)(H,64,78)(H,65,82)(H,66,81)(H,67,83)(H,68,84)(H,88,89)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253825
((1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C59H91N17O21S4/c1-26(2)15-29-47(84)66-30(17-42(61)78)48(85)69-33(18-43(62)79)57(94)74-12-6-9-39(74)54(91)67-31(19-45(81)82)49(86)73-38(59(96)97)25-101-100-24-37-53(90)70-34(21-77)50(87)68-32(16-27(3)4)56(93)76-14-8-11-41(76)58(95)75-13-7-10-40(75)55(92)72-36(51(88)63-28(5)46(83)65-29)23-99-98-22-35(52(89)71-37)64-44(80)20-60/h26-41,77H,6-25,60H2,1-5H3,(H2,61,78)(H2,62,79)(H,63,88)(H,64,80)(H,65,83)(H,66,84)(H,67,91)(H,68,87)(H,69,85)(H,70,90)(H,71,89)(H,72,92)(H,73,86)(H,81,82)(H,96,97)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253823
((1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,39S,46R)-46...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C50H79N15O17S4/c1-22(2)12-25-40(71)57-26(14-36(52)67)41(72)58-27(15-37(53)68)42(73)63-33(50(81)82)21-86-85-20-32-46(77)60-29(17-66)43(74)59-28(13-23(3)4)48(79)65-11-7-9-35(65)49(80)64-10-6-8-34(64)47(78)62-31(44(75)54-24(5)39(70)56-25)19-84-83-18-30(45(76)61-32)55-38(69)16-51/h22-35,66H,6-21,51H2,1-5H3,(H2,52,67)(H2,53,68)(H,54,75)(H,55,69)(H,56,70)(H,57,71)(H,58,72)(H,59,74)(H,60,77)(H,61,76)(H,62,78)(H,63,73)(H,81,82)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253821
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(O)=O |r| Show InChI InChI=1S/C65H94N18O23S4/c1-29(2)18-37-62(102)83-17-7-10-46(83)64(104)82-16-6-9-45(82)61(101)79-41-26-108-107-25-40(71-49(88)23-66)58(98)78-42(59(99)77-39(24-84)56(96)75-37)27-109-110-28-43(65(105)106)80-53(93)34(19-32-11-13-33(85)14-12-32)73-55(95)36(22-50(89)90)74-60(100)44-8-5-15-81(44)63(103)38(21-48(68)87)76-54(94)35(20-47(67)86)72-52(92)31(4)69-51(91)30(3)70-57(41)97/h11-14,29-31,34-46,84-85H,5-10,15-28,66H2,1-4H3,(H2,67,86)(H2,68,87)(H,69,91)(H,70,97)(H,71,88)(H,72,92)(H,73,95)(H,74,100)(H,75,96)(H,76,94)(H,77,99)(H,78,98)(H,79,101)(H,80,93)(H,89,90)(H,105,106)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 252 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50253822
((1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,43R)-43-(2-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C46H73N13O15S4/c1-21(2)12-24-37(64)52-25(14-34(48)61)38(65)57-31(46(73)74)20-78-77-19-30-42(69)54-27(16-60)39(66)53-26(13-22(3)4)44(71)59-11-7-9-33(59)45(72)58-10-6-8-32(58)43(70)56-29(40(67)49-23(5)36(63)51-24)18-76-75-17-28(41(68)55-30)50-35(62)15-47/h21-33,60H,6-20,47H2,1-5H3,(H2,48,61)(H,49,67)(H,50,62)(H,51,63)(H,52,64)(H,53,66)(H,54,69)(H,55,68)(H,56,70)(H,57,65)(H,73,74)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw... |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517282
(CHEMBL4556887)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C76H119N21O17/c1-9-11-24-48(77)63(103)95-62(44(8)99)74(114)97-33-20-28-56(97)69(109)91-53(35-45-21-13-12-14-22-45)66(106)90-54(36-46-37-84-49-25-16-15-23-47(46)49)67(107)87-50(26-17-30-82-75(78)79)64(104)85-38-58(100)93-60(42(5)6)72(112)92-55(40-98)68(108)89-52(34-41(3)4)65(105)88-51(27-18-31-83-76(80)81)73(113)96-32-19-29-57(96)70(110)94-61(43(7)10-2)71(111)86-39-59(101)102/h12-16,21-23,25,37,41-44,48,50-57,60-62,84,98-99H,9-11,17-20,24,26-36,38-40,77H2,1-8H3,(H,85,104)(H,86,111)(H,87,107)(H,88,105)(H,89,108)(H,90,106)(H,91,109)(H,92,112)(H,93,100)(H,94,110)(H,95,103)(H,101,102)(H4,78,79,82)(H4,80,81,83)/t43-,44+,48-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Antagonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in ghrelin-induced inositol phosphate production at 1 ... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517281
(CHEMBL4517399)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C190H314N64O58S4/c1-19-21-41-102(192)148(276)252-145(98(18)262)182(310)254-68-37-51-131(254)174(302)237-118(72-99-38-23-22-24-39-99)161(289)234-119(73-100-76-215-103-42-26-25-40-101(100)103)162(290)221-104(44-29-60-208-184(194)195)149(277)216-78-135(265)247-140(91(9)10)178(306)242-125(82-258)167(295)232-115(69-88(3)4)158(286)229-113(50-35-66-214-190(206)207)181(309)253-67-36-52-132(253)175(303)249-142(93(13)20-2)176(304)217-77-134(264)218-94(14)146(274)238-122(79-255)168(296)246-128-85-314-313-84-127-170(298)225-107(46-31-62-210-186(198)199)152(280)222-105(43-27-28-59-191)150(278)223-106(45-30-61-209-185(196)197)151(279)224-109(48-33-64-212-188(202)203)155(283)243-129(172(300)241-124(81-257)166(294)233-116(70-89(5)6)159(287)240-126(83-259)169(297)248-141(92(11)12)177(305)219-95(15)147(275)220-111(53-56-133(193)263)156(284)230-114(183(311)312)55-58-137(268)269)86-315-316-87-130(173(301)250-144(97(17)261)180(308)251-143(96(16)260)179(307)228-110(49-34-65-213-189(204)205)154(282)231-117(71-90(7)8)160(288)245-127)244-157(285)112(54-57-136(266)267)227-165(293)123(80-256)239-164(292)121(75-139(272)273)236-163(291)120(74-138(270)271)235-153(281)108(226-171(128)299)47-32-63-211-187(200)201/h22-26,38-40,42,76,88-98,102,104-132,140-145,215,255-262H,19-21,27-37,41,43-75,77-87,191-192H2,1-18H3,(H2,193,263)(H,216,277)(H,217,304)(H,218,264)(H,219,305)(H,220,275)(H,221,290)(H,222,280)(H,223,278)(H,224,279)(H,225,298)(H,226,299)(H,227,293)(H,228,307)(H,229,286)(H,230,284)(H,231,282)(H,232,295)(H,233,294)(H,234,289)(H,235,281)(H,236,291)(H,237,302)(H,238,274)(H,239,292)(H,240,287)(H,241,300)(H,242,306)(H,243,283)(H,244,285)(H,245,288)(H,246,296)(H,247,265)(H,248,297)(H,249,303)(H,250,301)(H,251,308)(H,252,276)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,311,312)(H4,194,195,208)(H4,196,197,209)(H4,198,199,210)(H4,200,201,211)(H4,202,203,212)(H4,204,205,213)(H4,206,207,214)/t93-,94+,95-,96+,97+,98+,102-,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-,143-,144-,145-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Antagonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in ghrelin-induced inositol phosphate production at 1 ... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517282
(CHEMBL4556887)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C76H119N21O17/c1-9-11-24-48(77)63(103)95-62(44(8)99)74(114)97-33-20-28-56(97)69(109)91-53(35-45-21-13-12-14-22-45)66(106)90-54(36-46-37-84-49-25-16-15-23-47(46)49)67(107)87-50(26-17-30-82-75(78)79)64(104)85-38-58(100)93-60(42(5)6)72(112)92-55(40-98)68(108)89-52(34-41(3)4)65(105)88-51(27-18-31-83-76(80)81)73(113)96-32-19-29-57(96)70(110)94-61(43(7)10-2)71(111)86-39-59(101)102/h12-16,21-23,25,37,41-44,48,50-57,60-62,84,98-99H,9-11,17-20,24,26-36,38-40,77H2,1-8H3,(H,85,104)(H,86,111)(H,87,107)(H,88,105)(H,89,108)(H,90,106)(H,91,109)(H,92,112)(H,93,100)(H,94,110)(H,95,103)(H,101,102)(H4,78,79,82)(H4,80,81,83)/t43-,44+,48-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 76 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in inositol phosphate production after 30 mins by... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517284
(CHEMBL4581511)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C41H59N11O7/c1-3-4-15-28(42)36(55)51-34(24(2)53)40(59)52-20-11-18-33(52)39(58)50-31(21-25-12-6-5-7-13-25)37(56)49-32(22-26-23-47-29-16-9-8-14-27(26)29)38(57)48-30(35(43)54)17-10-19-46-41(44)45/h5-9,12-14,16,23-24,28,30-34,47,53H,3-4,10-11,15,17-22,42H2,1-2H3,(H2,43,54)(H,48,57)(H,49,56)(H,50,58)(H,51,55)(H4,44,45,46)/t24-,28+,30+,31+,32+,33+,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.63E+3 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in inositol phosphate production after 30 mins by... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517282
(CHEMBL4556887)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C76H119N21O17/c1-9-11-24-48(77)63(103)95-62(44(8)99)74(114)97-33-20-28-56(97)69(109)91-53(35-45-21-13-12-14-22-45)66(106)90-54(36-46-37-84-49-25-16-15-23-47(46)49)67(107)87-50(26-17-30-82-75(78)79)64(104)85-38-58(100)93-60(42(5)6)72(112)92-55(40-98)68(108)89-52(34-41(3)4)65(105)88-51(27-18-31-83-76(80)81)73(113)96-32-19-29-57(96)70(110)94-61(43(7)10-2)71(111)86-39-59(101)102/h12-16,21-23,25,37,41-44,48,50-57,60-62,84,98-99H,9-11,17-20,24,26-36,38-40,77H2,1-8H3,(H,85,104)(H,86,111)(H,87,107)(H,88,105)(H,89,108)(H,90,106)(H,91,109)(H,92,112)(H,93,100)(H,94,110)(H,95,103)(H,101,102)(H4,78,79,82)(H4,80,81,83)/t43-,44+,48-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Antagonist activity at human SNAP-tagged GHSR expressed in HEK293T cells assessed as reduction in ghrelin-induced calcium production at 1 uM by measu... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50396915
(CHEMBL2170781)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r| Show InChI InChI=1S/C51H67N9O6/c1-31(2)25-41(46(54)61)56-48(63)42(26-32(3)4)58-51(66)45(29-36-30-55-40-23-11-10-21-38(36)40)60-49(64)43(27-33-15-6-5-7-16-33)59-50(65)44(57-47(62)39(53)22-12-13-24-52)28-35-19-14-18-34-17-8-9-20-37(34)35/h5-11,14-21,23,30-32,39,41-45,55H,12-13,22,24-29,52-53H2,1-4H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,66)(H,59,65)(H,60,64)/t39-,41-,42-,43-,44+,45+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in inositol phosphate production after 30 mins by... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517279
(CHEMBL4456830)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C57H87N15O12/c1-7-8-19-37(58)49(77)71-47(33(6)74)56(84)72-24-15-22-44(72)54(82)68-41(26-34-16-10-9-11-17-34)51(79)67-42(27-35-28-63-38-20-13-12-18-36(35)38)52(80)65-39(21-14-23-62-57(60)61)50(78)64-29-45(75)70-46(32(4)5)55(83)69-43(30-73)53(81)66-40(48(59)76)25-31(2)3/h9-13,16-18,20,28,31-33,37,39-44,46-47,63,73-74H,7-8,14-15,19,21-27,29-30,58H2,1-6H3,(H2,59,76)(H,64,78)(H,65,80)(H,66,81)(H,67,79)(H,68,82)(H,69,83)(H,70,75)(H,71,77)(H4,60,61,62)/t33-,37+,39+,40+,41+,42+,43+,44+,46+,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 134 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in inositol phosphate production after 30 mins by... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517280
(CHEMBL4463042)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C68H106N20O14/c1-7-8-21-43(69)57(93)86-55(39(6)90)66(102)88-30-17-26-52(88)63(99)83-48(32-40-18-10-9-11-19-40)60(96)82-49(33-41-34-77-44-22-13-12-20-42(41)44)61(97)79-45(23-14-27-75-67(71)72)58(94)78-35-53(91)85-54(38(4)5)64(100)84-50(36-89)62(98)81-47(31-37(2)3)59(95)80-46(24-15-28-76-68(73)74)65(101)87-29-16-25-51(87)56(70)92/h9-13,18-20,22,34,37-39,43,45-52,54-55,77,89-90H,7-8,14-17,21,23-33,35-36,69H2,1-6H3,(H2,70,92)(H,78,94)(H,79,97)(H,80,95)(H,81,98)(H,82,96)(H,83,99)(H,84,100)(H,85,91)(H,86,93)(H4,71,72,75)(H4,73,74,76)/t39-,43+,45+,46+,47+,48+,49+,50+,51+,52+,54+,55+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in inositol phosphate production after 30 mins by... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517278
(CHEMBL4475293)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C76H120N22O16/c1-9-11-24-48(77)63(103)96-62(44(8)100)74(114)98-33-20-28-56(98)69(109)92-53(35-45-21-13-12-14-22-45)66(106)91-54(36-46-37-85-49-25-16-15-23-47(46)49)67(107)88-50(26-17-30-83-75(79)80)64(104)87-39-59(102)94-60(42(5)6)72(112)93-55(40-99)68(108)90-52(34-41(3)4)65(105)89-51(27-18-31-84-76(81)82)73(113)97-32-19-29-57(97)70(110)95-61(43(7)10-2)71(111)86-38-58(78)101/h12-16,21-23,25,37,41-44,48,50-57,60-62,85,99-100H,9-11,17-20,24,26-36,38-40,77H2,1-8H3,(H2,78,101)(H,86,111)(H,87,104)(H,88,107)(H,89,105)(H,90,108)(H,91,106)(H,92,109)(H,93,112)(H,94,102)(H,95,110)(H,96,103)(H4,79,80,83)(H4,81,82,84)/t43-,44+,48-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in inositol phosphate production after 30 mins by... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517277
(CHEMBL4541252)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C48H71N13O9/c1-5-6-17-32(49)42(65)60-40(28(4)62)47(70)61-22-13-20-37(61)46(69)58-35(23-29-14-8-7-9-15-29)44(67)57-36(24-30-25-54-33-18-11-10-16-31(30)33)45(68)56-34(19-12-21-53-48(51)52)43(66)55-26-38(63)59-39(27(2)3)41(50)64/h7-11,14-16,18,25,27-28,32,34-37,39-40,54,62H,5-6,12-13,17,19-24,26,49H2,1-4H3,(H2,50,64)(H,55,66)(H,56,68)(H,57,67)(H,58,69)(H,59,63)(H,60,65)(H4,51,52,53)/t28-,32+,34+,35+,36+,37+,39+,40+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 368 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in inositol phosphate production after 30 mins by... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Binding affinity to human wild type NET expressed in african green monkey COS1 cells |
J Biol Chem 282: 17837-44 (2007)
Article DOI: 10.1074/jbc.M610813200
BindingDB Entry DOI: 10.7270/Q2D79C9R |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517281
(CHEMBL4517399)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C190H314N64O58S4/c1-19-21-41-102(192)148(276)252-145(98(18)262)182(310)254-68-37-51-131(254)174(302)237-118(72-99-38-23-22-24-39-99)161(289)234-119(73-100-76-215-103-42-26-25-40-101(100)103)162(290)221-104(44-29-60-208-184(194)195)149(277)216-78-135(265)247-140(91(9)10)178(306)242-125(82-258)167(295)232-115(69-88(3)4)158(286)229-113(50-35-66-214-190(206)207)181(309)253-67-36-52-132(253)175(303)249-142(93(13)20-2)176(304)217-77-134(264)218-94(14)146(274)238-122(79-255)168(296)246-128-85-314-313-84-127-170(298)225-107(46-31-62-210-186(198)199)152(280)222-105(43-27-28-59-191)150(278)223-106(45-30-61-209-185(196)197)151(279)224-109(48-33-64-212-188(202)203)155(283)243-129(172(300)241-124(81-257)166(294)233-116(70-89(5)6)159(287)240-126(83-259)169(297)248-141(92(11)12)177(305)219-95(15)147(275)220-111(53-56-133(193)263)156(284)230-114(183(311)312)55-58-137(268)269)86-315-316-87-130(173(301)250-144(97(17)261)180(308)251-143(96(16)260)179(307)228-110(49-34-65-213-189(204)205)154(282)231-117(71-90(7)8)160(288)245-127)244-157(285)112(54-57-136(266)267)227-165(293)123(80-256)239-164(292)121(75-139(272)273)236-163(291)120(74-138(270)271)235-153(281)108(226-171(128)299)47-32-63-211-187(200)201/h22-26,38-40,42,76,88-98,102,104-132,140-145,215,255-262H,19-21,27-37,41,43-75,77-87,191-192H2,1-18H3,(H2,193,263)(H,216,277)(H,217,304)(H,218,264)(H,219,305)(H,220,275)(H,221,290)(H,222,280)(H,223,278)(H,224,279)(H,225,298)(H,226,299)(H,227,293)(H,228,307)(H,229,286)(H,230,284)(H,231,282)(H,232,295)(H,233,294)(H,234,289)(H,235,281)(H,236,291)(H,237,302)(H,238,274)(H,239,292)(H,240,287)(H,241,300)(H,242,306)(H,243,283)(H,244,285)(H,245,288)(H,246,296)(H,247,265)(H,248,297)(H,249,303)(H,250,301)(H,251,308)(H,252,276)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,311,312)(H4,194,195,208)(H4,196,197,209)(H4,198,199,210)(H4,200,201,211)(H4,202,203,212)(H4,204,205,213)(H4,206,207,214)/t93-,94+,95-,96+,97+,98+,102-,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-,143-,144-,145-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in inositol phosphate production after 30 mins by... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517281
(CHEMBL4517399)Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C190H314N64O58S4/c1-19-21-41-102(192)148(276)252-145(98(18)262)182(310)254-68-37-51-131(254)174(302)237-118(72-99-38-23-22-24-39-99)161(289)234-119(73-100-76-215-103-42-26-25-40-101(100)103)162(290)221-104(44-29-60-208-184(194)195)149(277)216-78-135(265)247-140(91(9)10)178(306)242-125(82-258)167(295)232-115(69-88(3)4)158(286)229-113(50-35-66-214-190(206)207)181(309)253-67-36-52-132(253)175(303)249-142(93(13)20-2)176(304)217-77-134(264)218-94(14)146(274)238-122(79-255)168(296)246-128-85-314-313-84-127-170(298)225-107(46-31-62-210-186(198)199)152(280)222-105(43-27-28-59-191)150(278)223-106(45-30-61-209-185(196)197)151(279)224-109(48-33-64-212-188(202)203)155(283)243-129(172(300)241-124(81-257)166(294)233-116(70-89(5)6)159(287)240-126(83-259)169(297)248-141(92(11)12)177(305)219-95(15)147(275)220-111(53-56-133(193)263)156(284)230-114(183(311)312)55-58-137(268)269)86-315-316-87-130(173(301)250-144(97(17)261)180(308)251-143(96(16)260)179(307)228-110(49-34-65-213-189(204)205)154(282)231-117(71-90(7)8)160(288)245-127)244-157(285)112(54-57-136(266)267)227-165(293)123(80-256)239-164(292)121(75-139(272)273)236-163(291)120(74-138(270)271)235-153(281)108(226-171(128)299)47-32-63-211-187(200)201/h22-26,38-40,42,76,88-98,102,104-132,140-145,215,255-262H,19-21,27-37,41,43-75,77-87,191-192H2,1-18H3,(H2,193,263)(H,216,277)(H,217,304)(H,218,264)(H,219,305)(H,220,275)(H,221,290)(H,222,280)(H,223,278)(H,224,279)(H,225,298)(H,226,299)(H,227,293)(H,228,307)(H,229,286)(H,230,284)(H,231,282)(H,232,295)(H,233,294)(H,234,289)(H,235,281)(H,236,291)(H,237,302)(H,238,274)(H,239,292)(H,240,287)(H,241,300)(H,242,306)(H,243,283)(H,244,285)(H,245,288)(H,246,296)(H,247,265)(H,248,297)(H,249,303)(H,250,301)(H,251,308)(H,252,276)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,311,312)(H4,194,195,208)(H4,196,197,209)(H4,198,199,210)(H4,200,201,211)(H4,202,203,212)(H4,204,205,213)(H4,206,207,214)/t93-,94+,95-,96+,97+,98+,102-,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-,143-,144-,145-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Antagonist activity at human SNAP-tagged GHSR expressed in HEK293T cells assessed as reduction in ghrelin-induced calcium production at 1 uM by measu... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50517283
(CHEMBL425281)Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-135(225)103(75-197)171-115(204)73-154)137(227)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)190-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
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KEGG
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in inositol phosphate production after 30 mins by... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50260268
(CHEMBL501261 | rPKPfQwFwLL-NH2)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCN=C(N)N)C(N)=O |r,wU:91.97,75.80,55.65,41.56,82.94,30.40,16.28,64.77,8.12,wD:98.106,4.4,(32.88,-5.76,;32.94,-4.22,;34.29,-3.5,;31.62,-3.41,;31.68,-1.87,;30.37,-1.06,;29.01,-1.78,;28.96,-3.32,;27.71,-.97,;27.76,.56,;29.12,1.29,;29.17,2.83,;30.43,.48,;26.35,-1.69,;25.04,-.88,;25.1,.66,;23.69,-1.6,;23.63,-3.15,;24.94,-3.96,;26.37,-3.38,;27.35,-4.56,;26.54,-5.87,;26.96,-7.34,;25.9,-8.45,;24.4,-8.08,;23.97,-6.6,;25.05,-5.49,;22.38,-.79,;21.02,-1.51,;20.96,-3.05,;19.71,-.7,;19.76,.84,;21.12,1.56,;22.43,.75,;23.78,1.47,;23.84,3.02,;22.53,3.83,;21.17,3.11,;18.35,-1.43,;17.04,-.62,;17.09,.93,;15.68,-1.35,;15.63,-2.87,;16.93,-3.7,;18.37,-3.12,;19.35,-4.3,;18.54,-5.61,;18.97,-7.08,;17.9,-8.18,;16.4,-7.82,;15.97,-6.33,;17.04,-5.23,;14.38,-.52,;13,-1.22,;12.96,-2.76,;11.71,-.4,;11.75,1.13,;13.11,1.86,;13.16,3.4,;11.88,4.19,;14.52,4.12,;10.36,-1.15,;9.06,-.33,;9.1,1.22,;7.7,-1.05,;7.65,-2.58,;8.95,-3.4,;10.31,-2.68,;11.61,-3.49,;11.56,-5.03,;10.21,-5.76,;8.9,-4.94,;6.39,-.23,;5.03,-.95,;4.99,-2.49,;3.73,-.14,;3.87,1.41,;2.24,1.8,;1.35,.37,;2.44,-.91,;2.19,-2.43,;3.32,-3.48,;.73,-2.89,;-.6,-2.09,;-1.94,-2.83,;-3.26,-2.04,;-4.61,-2.78,;-5.93,-1.99,;.76,-4.43,;2.1,-5.19,;3.43,-4.4,;2.12,-6.72,;.73,-7.44,;1.29,-9.03,;2.96,-8.99,;3.46,-7.39,;4.8,-6.61,;4.78,-5.08,;6.14,-7.36,;7.47,-6.6,;6.16,-8.91,;7.48,-9.68,;7.48,-11.23,;8.8,-12.02,;8.78,-13.56,;7.44,-14.33,;10.1,-14.35,;33.03,-1.15,;34.35,-1.96,;33.09,.39,)| Show InChI InChI=1S/C79H109N19O12/c1-46(2)38-59(68(83)100)91-70(102)60(39-47(3)4)92-73(105)64(43-51-45-88-56-28-14-12-25-53(51)56)95-72(104)61(40-48-20-7-5-8-21-48)93-74(106)63(42-50-44-87-55-27-13-11-24-52(50)55)94-69(101)57(32-33-67(82)99)89-71(103)62(41-49-22-9-6-10-23-49)96-76(108)66-31-19-37-98(66)78(110)58(29-15-16-34-80)90-75(107)65-30-18-36-97(65)77(109)54(81)26-17-35-86-79(84)85/h5-14,20-25,27-28,44-47,54,57-66,87-88H,15-19,26,29-43,80-81H2,1-4H3,(H2,82,99)(H2,83,100)(H,89,103)(H,90,107)(H,91,102)(H,92,105)(H,93,106)(H,94,101)(H,95,104)(H,96,108)(H4,84,85,86)/t54-,57+,58+,59+,60+,61+,62-,63-,64-,65+,66+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in inositol phosphate production after 30 mins by... |
J Med Chem 62: 965-973 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3 |
More data for this
Ligand-Target Pair | |
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