Found 100 hits with Last Name = 'donaldson' and Initial = 'c' 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 |
|---|
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153477
(CHEMBL3775524)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C177H298N50O49/c1-31-34-48-104(203-154(259)114(59-66-132(236)237)210-158(263)121(77-90(10)11)219-167(272)136(94(18)19)222-155(260)115(60-67-133(238)239)209-149(254)109(54-45-73-193-174(187)188)206-157(262)119(75-88(6)7)214-159(264)120(76-89(8)9)215-161(266)124(80-103-85-189-86-194-103)217-160(265)123(79-102-46-37-36-38-47-102)220-168(273)138(100(25)228)223-164(269)122(78-91(12)13)216-163(268)126(82-135(242)243)199-101(26)229)144(249)195-96(21)140(245)200-107(52-43-71-191-172(183)184)145(250)196-97(22)141(246)202-113(58-65-131(234)235)153(258)211-116(56-63-128(180)231)165(270)226-176(29,83-92(14)15)170(275)198-98(23)142(247)201-111(55-62-127(179)230)152(257)208-112-57-64-130(233)190-70-42-40-51-110(221-169(274)175(27,28)225-143(248)99(24)197-146(112)251)151(256)218-125(81-129(181)232)162(267)207-108(53-44-72-192-173(185)186)148(253)204-106(50-39-41-69-178)150(255)213-118(74-87(4)5)156(261)205-105(49-35-32-2)147(252)212-117(61-68-134(240)241)166(271)227-177(30,84-93(16)17)171(276)224-137(139(182)244)95(20)33-3/h36-38,46-47,85-100,104-126,136-138,228H,31-35,39-45,48-84,178H2,1-30H3,(H2,179,230)(H2,180,231)(H2,181,232)(H2,182,244)(H,189,194)(H,190,233)(H,195,249)(H,196,250)(H,197,251)(H,198,275)(H,199,229)(H,200,245)(H,201,247)(H,202,246)(H,203,259)(H,204,253)(H,205,261)(H,206,262)(H,207,267)(H,208,257)(H,209,254)(H,210,263)(H,211,258)(H,212,252)(H,213,255)(H,214,264)(H,215,266)(H,216,268)(H,217,265)(H,218,256)(H,219,272)(H,220,273)(H,221,274)(H,222,260)(H,223,269)(H,224,276)(H,225,248)(H,226,270)(H,227,271)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,191)(H4,185,186,192)(H4,187,188,193)/t95?,96?,97-,98-,99-,100+,104?,105?,106-,107-,108?,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,136-,137-,138-,176?,177?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153480
(CHEMBL3775195)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C176H296N50O49/c1-30-33-47-104(204-155(259)114(58-65-132(235)236)211-159(263)121(76-89(10)11)220-168(272)136(93(18)19)222-156(260)115(59-66-133(237)238)210-150(254)110(53-44-72-192-174(186)187)207-158(262)119(74-87(6)7)215-160(264)120(75-88(8)9)216-162(266)124(79-103-84-188-85-193-103)218-161(265)123(78-102-45-36-35-37-46-102)221-169(273)138(100(26)227)223-165(269)122(77-90(12)13)217-164(268)126(81-135(241)242)199-101(27)228)145(249)196-97(23)142(246)201-108(51-42-70-190-172(182)183)146(250)197-98(24)143(247)203-113(57-64-131(233)234)154(258)212-116(55-62-128(179)230)166(270)225-175(28,82-91(14)15)170(274)198-99(25)144(248)202-111(54-61-127(178)229)153(257)209-112-56-63-130(232)189-69-41-39-50-106(200-141(245)96(22)194-140(244)95(21)195-147(112)251)151(255)219-125(80-129(180)231)163(267)208-109(52-43-71-191-173(184)185)149(253)205-107(49-38-40-68-177)152(256)214-118(73-86(4)5)157(261)206-105(48-34-31-2)148(252)213-117(60-67-134(239)240)167(271)226-176(29,83-92(16)17)171(275)224-137(139(181)243)94(20)32-3/h35-37,45-46,84-100,104-126,136-138,227H,30-34,38-44,47-83,177H2,1-29H3,(H2,178,229)(H2,179,230)(H2,180,231)(H2,181,243)(H,188,193)(H,189,232)(H,194,244)(H,195,251)(H,196,249)(H,197,250)(H,198,274)(H,199,228)(H,200,245)(H,201,246)(H,202,248)(H,203,247)(H,204,259)(H,205,253)(H,206,261)(H,207,262)(H,208,267)(H,209,257)(H,210,254)(H,211,263)(H,212,258)(H,213,252)(H,214,256)(H,215,264)(H,216,266)(H,217,268)(H,218,265)(H,219,255)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,275)(H,225,270)(H,226,271)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t94?,95-,96-,97?,98-,99-,100+,104?,105?,106-,107-,108-,109?,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,136-,137-,138-,175?,176?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153499
(CHEMBL3774658)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C177H296N52O47/c1-30-33-47-106(206-155(259)115(57-63-133(236)237)214-159(263)122(74-90(10)11)223-169(273)137(94(18)19)225-156(260)116(58-64-134(238)239)213-151(255)112(53-44-70-194-175(187)188)210-158(262)120(72-88(6)7)218-160(264)121(73-89(8)9)219-163(267)126(78-105-84-190-86-196-105)221-161(265)124(76-103-45-36-35-37-46-103)224-170(274)139(101(26)230)226-166(270)123(75-91(12)13)220-165(269)128(80-136(242)243)202-102(27)231)146(250)199-98(23)143(247)203-110(51-42-68-192-173(183)184)147(251)198-96(21)141(245)197-97(22)142(246)205-117(55-61-130(180)233)167(271)228-176(28,81-92(14)15)171(275)201-100(25)145(249)204-113(54-60-129(179)232)154(258)212-114-56-62-132(235)191-67-41-39-50-109(209-162(266)125(77-104-83-189-85-195-104)216-144(248)99(24)200-148(114)252)153(257)222-127(79-131(181)234)164(268)211-111(52-43-69-193-174(185)186)150(254)207-108(49-38-40-66-178)152(256)217-119(71-87(4)5)157(261)208-107(48-34-31-2)149(253)215-118(59-65-135(240)241)168(272)229-177(29,82-93(16)17)172(276)227-138(140(182)244)95(20)32-3/h35-37,45-46,83-101,106-128,137-139,230H,30-34,38-44,47-82,178H2,1-29H3,(H2,179,232)(H2,180,233)(H2,181,234)(H2,182,244)(H,189,195)(H,190,196)(H,191,235)(H,197,245)(H,198,251)(H,199,250)(H,200,252)(H,201,275)(H,202,231)(H,203,247)(H,204,249)(H,205,246)(H,206,259)(H,207,254)(H,208,261)(H,209,266)(H,210,262)(H,211,268)(H,212,258)(H,213,255)(H,214,263)(H,215,253)(H,216,248)(H,217,256)(H,218,264)(H,219,267)(H,220,269)(H,221,265)(H,222,257)(H,223,273)(H,224,274)(H,225,260)(H,226,270)(H,227,276)(H,228,271)(H,229,272)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t95-,96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118?,119-,120-,121-,122-,123-,124+,125-,126-,127-,128-,137-,138-,139-,176?,177?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153473
(CHEMBL3775796)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C179H298N52O49/c1-29-32-46-106(207-157(263)116(57-64-135(240)241)215-161(267)123(75-91(10)11)225-171(277)139(95(18)19)227-158(264)117(58-65-136(242)243)214-152(258)112(52-43-71-196-177(189)190)211-160(266)121(73-89(6)7)220-162(268)122(74-90(8)9)221-165(271)127(79-105-85-192-87-198-105)223-163(269)125(77-103-44-35-34-36-45-103)226-172(278)141(101(25)232)228-168(274)124(76-92(12)13)222-167(273)129(81-138(246)247)203-102(26)233)147(253)199-97(21)143(249)204-110(50-41-69-194-175(185)186)148(254)200-98(22)144(250)206-115(56-63-134(238)239)156(262)216-118(54-61-131(182)235)169(275)230-178(27,82-93(14)15)173(279)202-100(24)146(252)205-113(53-60-130(181)234)155(261)213-114-55-62-133(237)193-68-40-38-49-109(210-164(270)126(78-104-84-191-86-197-104)218-145(251)99(23)201-149(114)255)154(260)224-128(80-132(183)236)166(272)212-111(51-42-70-195-176(187)188)151(257)208-108(48-37-39-67-180)153(259)219-120(72-88(4)5)159(265)209-107(47-33-30-2)150(256)217-119(59-66-137(244)245)170(276)231-179(28,83-94(16)17)174(280)229-140(142(184)248)96(20)31-3/h34-36,44-45,84-101,106-129,139-141,232H,29-33,37-43,46-83,180H2,1-28H3,(H2,181,234)(H2,182,235)(H2,183,236)(H2,184,248)(H,191,197)(H,192,198)(H,193,237)(H,199,253)(H,200,254)(H,201,255)(H,202,279)(H,203,233)(H,204,249)(H,205,252)(H,206,250)(H,207,263)(H,208,257)(H,209,265)(H,210,270)(H,211,266)(H,212,272)(H,213,261)(H,214,258)(H,215,267)(H,216,262)(H,217,256)(H,218,251)(H,219,259)(H,220,268)(H,221,271)(H,222,273)(H,223,269)(H,224,260)(H,225,277)(H,226,278)(H,227,264)(H,228,274)(H,229,280)(H,230,275)(H,231,276)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H4,185,186,194)(H4,187,188,195)(H4,189,190,196)/t96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,127-,128-,129-,139-,140-,141-,178?,179?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153579
(CHEMBL3774395)Show SMILES CCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C175H294N50O49/c1-29-33-37-56-128(231)197-123(84-133(240)241)161(266)214-119(80-91(13)14)162(267)221-136(98(22)226)166(271)218-120(81-99-47-38-36-39-48-99)158(263)215-121(82-100-85-187-86-192-100)159(264)213-117(78-89(9)10)157(262)212-116(77-88(7)8)155(260)204-106(55-46-75-191-172(185)186)147(252)207-112(62-69-131(236)237)153(258)220-134(92(15)16)165(270)217-118(79-90(11)12)156(261)208-111(61-68-130(234)235)152(257)201-101(49-34-30-2)142(247)193-94(18)138(243)198-104(53-44-73-189-170(181)182)143(248)194-95(19)139(244)200-110(60-67-129(232)233)151(256)209-113(58-65-125(178)228)163(268)224-173(23,24)167(272)196-96(20)140(245)199-108(57-64-124(177)227)150(255)206-109-59-66-127(230)188-72-43-41-52-107(219-168(273)174(25,26)223-141(246)97(21)195-144(109)249)149(254)216-122(83-126(179)229)160(265)205-105(54-45-74-190-171(183)184)146(251)202-103(51-40-42-71-176)148(253)211-115(76-87(5)6)154(259)203-102(50-35-31-3)145(250)210-114(63-70-132(238)239)164(269)225-175(27,28)169(274)222-135(137(180)242)93(17)32-4/h36,38-39,47-48,85-98,101-123,134-136,226H,29-35,37,40-46,49-84,176H2,1-28H3,(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,242)(H,187,192)(H,188,230)(H,193,247)(H,194,248)(H,195,249)(H,196,272)(H,197,231)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,273)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,101?,102?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,134-,135-,136-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153499
(CHEMBL3774658)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C177H296N52O47/c1-30-33-47-106(206-155(259)115(57-63-133(236)237)214-159(263)122(74-90(10)11)223-169(273)137(94(18)19)225-156(260)116(58-64-134(238)239)213-151(255)112(53-44-70-194-175(187)188)210-158(262)120(72-88(6)7)218-160(264)121(73-89(8)9)219-163(267)126(78-105-84-190-86-196-105)221-161(265)124(76-103-45-36-35-37-46-103)224-170(274)139(101(26)230)226-166(270)123(75-91(12)13)220-165(269)128(80-136(242)243)202-102(27)231)146(250)199-98(23)143(247)203-110(51-42-68-192-173(183)184)147(251)198-96(21)141(245)197-97(22)142(246)205-117(55-61-130(180)233)167(271)228-176(28,81-92(14)15)171(275)201-100(25)145(249)204-113(54-60-129(179)232)154(258)212-114-56-62-132(235)191-67-41-39-50-109(209-162(266)125(77-104-83-189-85-195-104)216-144(248)99(24)200-148(114)252)153(257)222-127(79-131(181)234)164(268)211-111(52-43-69-193-174(185)186)150(254)207-108(49-38-40-66-178)152(256)217-119(71-87(4)5)157(261)208-107(48-34-31-2)149(253)215-118(59-65-135(240)241)168(272)229-177(29,82-93(16)17)172(276)227-138(140(182)244)95(20)32-3/h35-37,45-46,83-101,106-128,137-139,230H,30-34,38-44,47-82,178H2,1-29H3,(H2,179,232)(H2,180,233)(H2,181,234)(H2,182,244)(H,189,195)(H,190,196)(H,191,235)(H,197,245)(H,198,251)(H,199,250)(H,200,252)(H,201,275)(H,202,231)(H,203,247)(H,204,249)(H,205,246)(H,206,259)(H,207,254)(H,208,261)(H,209,266)(H,210,262)(H,211,268)(H,212,258)(H,213,255)(H,214,263)(H,215,253)(H,216,248)(H,217,256)(H,218,264)(H,219,267)(H,220,269)(H,221,265)(H,222,257)(H,223,273)(H,224,274)(H,225,260)(H,226,270)(H,227,276)(H,228,271)(H,229,272)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t95-,96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118?,119-,120-,121-,122-,123-,124+,125-,126-,127-,128-,137-,138-,139-,176?,177?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153574
(CHEMBL3775778)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C177H296N52O47/c1-30-33-47-106(206-156(260)116(58-64-134(238)239)214-160(264)122(74-90(10)11)223-169(273)137(94(18)19)225-157(261)117(59-65-135(240)241)213-151(255)112(53-44-70-194-175(187)188)210-159(263)120(72-88(6)7)218-161(265)121(73-89(8)9)219-164(268)126(78-105-84-190-86-196-105)221-162(266)124(76-103-45-36-35-37-46-103)224-170(274)139(101(26)230)226-167(271)123(75-91(12)13)220-166(270)128(80-136(242)243)202-102(27)231)146(250)197-96(21)141(245)203-110(51-42-68-192-173(183)184)148(252)198-97(22)142(246)205-115(57-63-133(236)237)155(259)215-118(55-61-130(180)233)168(272)229-176(28,81-92(14)15)171(275)201-99(24)144(248)204-113(54-60-129(179)232)154(258)212-114-56-62-132(235)191-67-41-39-50-109(209-163(267)125(77-104-83-189-85-195-104)216-143(247)98(23)199-149(114)253)153(257)222-127(79-131(181)234)165(269)211-111(52-43-69-193-174(185)186)150(254)207-108(49-38-40-66-178)152(256)217-119(71-87(4)5)158(262)208-107(48-34-31-2)147(251)200-100(25)145(249)228-177(29,82-93(16)17)172(276)227-138(140(182)244)95(20)32-3/h35-37,45-46,83-101,106-128,137-139,230H,30-34,38-44,47-82,178H2,1-29H3,(H2,179,232)(H2,180,233)(H2,181,234)(H2,182,244)(H,189,195)(H,190,196)(H,191,235)(H,197,250)(H,198,252)(H,199,253)(H,200,251)(H,201,275)(H,202,231)(H,203,245)(H,204,248)(H,205,246)(H,206,260)(H,207,254)(H,208,262)(H,209,267)(H,210,263)(H,211,269)(H,212,258)(H,213,255)(H,214,264)(H,215,259)(H,216,247)(H,217,256)(H,218,265)(H,219,268)(H,220,270)(H,221,266)(H,222,257)(H,223,273)(H,224,274)(H,225,261)(H,226,271)(H,227,276)(H,228,249)(H,229,272)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t95-,96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,125-,126-,127-,128-,137-,138-,139-,176?,177?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153481
(CHEMBL3774868)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C183H302N52O50/c1-29-32-46-109(211-160(267)119(61-68-138(244)245)219-164(271)126(79-93(10)11)229-174(281)142(97(18)19)231-161(268)120(62-69-139(246)247)218-155(262)115(52-43-75-200-180(193)194)215-163(270)124(77-91(6)7)224-165(272)125(78-92(8)9)225-168(275)130(83-108-88-196-89-201-108)227-167(274)129(81-105-44-35-34-36-45-105)230-175(282)144(103(25)236)232-171(278)127(80-94(12)13)226-170(277)132(85-141(250)251)206-104(26)237)150(257)202-99(21)146(253)208-113(50-41-73-198-178(189)190)151(258)203-100(22)147(254)210-118(60-67-137(242)243)159(266)220-121(58-65-134(186)239)172(279)234-182(27,86-95(14)15)176(283)205-102(24)149(256)209-116(57-64-133(185)238)158(265)217-117-59-66-136(241)197-72-40-38-49-112(214-166(273)128(222-148(255)101(23)204-152(117)259)82-106-53-55-107(56-54-106)207-181(195)285)157(264)228-131(84-135(187)240)169(276)216-114(51-42-74-199-179(191)192)154(261)212-111(48-37-39-71-184)156(263)223-123(76-90(4)5)162(269)213-110(47-33-30-2)153(260)221-122(63-70-140(248)249)173(280)235-183(28,87-96(16)17)177(284)233-143(145(188)252)98(20)31-3/h34-36,44-45,53-56,88-103,109-132,142-144,236H,29-33,37-43,46-52,57-87,184H2,1-28H3,(H2,185,238)(H2,186,239)(H2,187,240)(H2,188,252)(H,196,201)(H,197,241)(H,202,257)(H,203,258)(H,204,259)(H,205,283)(H,206,237)(H,208,253)(H,209,256)(H,210,254)(H,211,267)(H,212,261)(H,213,269)(H,214,273)(H,215,270)(H,216,276)(H,217,265)(H,218,262)(H,219,271)(H,220,266)(H,221,260)(H,222,255)(H,223,263)(H,224,272)(H,225,275)(H,226,277)(H,227,274)(H,228,264)(H,229,281)(H,230,282)(H,231,268)(H,232,278)(H,233,284)(H,234,279)(H,235,280)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)(H3,195,207,285)/t98-,99-,100-,101-,102-,103+,109?,110?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129+,130-,131-,132-,142-,143-,144-,182?,183?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153497
(CHEMBL3775030)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1cccs1)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C180H294N52O49S/c1-28-30-45-107(208-157(263)116(55-62-136(241)242)215-160(266)123(74-91(9)10)226-172(278)140(95(17)18)228-158(264)117(56-63-137(243)244)214-152(258)112(50-40-69-197-178(190)191)211-159(265)120(71-88(3)4)220-161(267)122(73-90(7)8)221-165(271)127(78-105-85-193-87-199-105)223-163(269)125(76-103-42-32-31-33-43-103)227-173(279)142(101(24)233)229-169(275)124(75-92(11)12)222-168(274)130(81-139(247)248)204-102(25)234)148(254)200-97(20)144(250)205-110(48-38-67-195-176(186)187)149(255)201-98(21)145(251)207-115(54-61-135(239)240)156(262)216-118(52-59-132(183)236)170(276)231-179(26,82-93(13)14)174(280)203-100(23)147(253)206-113(51-58-131(182)235)155(261)213-114-53-60-134(238)194-66-37-35-47-109(210-164(270)126(77-104-84-192-86-198-104)218-146(252)99(22)202-150(114)256)154(260)225-129(80-133(184)237)167(273)212-111(49-39-68-196-177(188)189)151(257)209-108(46-34-36-65-181)153(259)219-121(72-89(5)6)162(268)224-128(79-106-44-41-70-282-106)166(272)217-119(57-64-138(245)246)171(277)232-180(27,83-94(15)16)175(281)230-141(143(185)249)96(19)29-2/h31-33,41-44,70,84-101,107-130,140-142,233H,28-30,34-40,45-69,71-83,181H2,1-27H3,(H2,182,235)(H2,183,236)(H2,184,237)(H2,185,249)(H,192,198)(H,193,199)(H,194,238)(H,200,254)(H,201,255)(H,202,256)(H,203,280)(H,204,234)(H,205,250)(H,206,253)(H,207,251)(H,208,263)(H,209,257)(H,210,270)(H,211,265)(H,212,273)(H,213,261)(H,214,258)(H,215,266)(H,216,262)(H,217,272)(H,218,252)(H,219,259)(H,220,267)(H,221,271)(H,222,274)(H,223,269)(H,224,268)(H,225,260)(H,226,278)(H,227,279)(H,228,264)(H,229,275)(H,230,281)(H,231,276)(H,232,277)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)/t96-,97-,98-,99-,100-,101+,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,127-,128?,129-,130-,140-,141-,142-,179?,180?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153498
(CHEMBL3774682)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1ccsc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C180H294N52O49S/c1-28-30-43-107(208-157(263)116(53-60-136(241)242)215-160(266)123(73-91(9)10)226-172(278)140(95(17)18)228-158(264)117(54-61-137(243)244)214-152(258)112(48-40-68-197-178(190)191)211-159(265)120(70-88(3)4)220-161(267)122(72-90(7)8)221-166(272)128(78-106-84-193-87-199-106)224-164(270)125(75-103-41-32-31-33-42-103)227-173(279)142(101(24)233)229-169(275)124(74-92(11)12)222-168(274)130(80-139(247)248)204-102(25)234)148(254)200-97(20)144(250)205-110(46-38-66-195-176(186)187)149(255)201-98(21)145(251)207-115(52-59-135(239)240)156(262)216-118(50-57-132(183)236)170(276)231-179(26,81-93(13)14)174(280)203-100(23)147(253)206-113(49-56-131(182)235)155(261)213-114-51-58-134(238)194-65-37-35-45-109(210-165(271)127(77-105-83-192-86-198-105)218-146(252)99(22)202-150(114)256)154(260)225-129(79-133(184)237)167(273)212-111(47-39-67-196-177(188)189)151(257)209-108(44-34-36-64-181)153(259)219-121(71-89(5)6)162(268)223-126(76-104-63-69-282-85-104)163(269)217-119(55-62-138(245)246)171(277)232-180(27,82-94(15)16)175(281)230-141(143(185)249)96(19)29-2/h31-33,41-42,63,69,83-101,107-130,140-142,233H,28-30,34-40,43-62,64-68,70-82,181H2,1-27H3,(H2,182,235)(H2,183,236)(H2,184,237)(H2,185,249)(H,192,198)(H,193,199)(H,194,238)(H,200,254)(H,201,255)(H,202,256)(H,203,280)(H,204,234)(H,205,250)(H,206,253)(H,207,251)(H,208,263)(H,209,257)(H,210,271)(H,211,265)(H,212,273)(H,213,261)(H,214,258)(H,215,266)(H,216,262)(H,217,269)(H,218,252)(H,219,259)(H,220,267)(H,221,272)(H,222,274)(H,223,268)(H,224,270)(H,225,260)(H,226,278)(H,227,279)(H,228,264)(H,229,275)(H,230,281)(H,231,276)(H,232,277)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)/t96-,97-,98-,99-,100-,101+,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126?,127-,128-,129-,130-,140-,141-,142-,179?,180?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153579
(CHEMBL3774395)Show SMILES CCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C175H294N50O49/c1-29-33-37-56-128(231)197-123(84-133(240)241)161(266)214-119(80-91(13)14)162(267)221-136(98(22)226)166(271)218-120(81-99-47-38-36-39-48-99)158(263)215-121(82-100-85-187-86-192-100)159(264)213-117(78-89(9)10)157(262)212-116(77-88(7)8)155(260)204-106(55-46-75-191-172(185)186)147(252)207-112(62-69-131(236)237)153(258)220-134(92(15)16)165(270)217-118(79-90(11)12)156(261)208-111(61-68-130(234)235)152(257)201-101(49-34-30-2)142(247)193-94(18)138(243)198-104(53-44-73-189-170(181)182)143(248)194-95(19)139(244)200-110(60-67-129(232)233)151(256)209-113(58-65-125(178)228)163(268)224-173(23,24)167(272)196-96(20)140(245)199-108(57-64-124(177)227)150(255)206-109-59-66-127(230)188-72-43-41-52-107(219-168(273)174(25,26)223-141(246)97(21)195-144(109)249)149(254)216-122(83-126(179)229)160(265)205-105(54-45-74-190-171(183)184)146(251)202-103(51-40-42-71-176)148(253)211-115(76-87(5)6)154(259)203-102(50-35-31-3)145(250)210-114(63-70-132(238)239)164(269)225-175(27,28)169(274)222-135(137(180)242)93(17)32-4/h36,38-39,47-48,85-98,101-123,134-136,226H,29-35,37,40-46,49-84,176H2,1-28H3,(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,242)(H,187,192)(H,188,230)(H,193,247)(H,194,248)(H,195,249)(H,196,272)(H,197,231)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,273)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,101?,102?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,134-,135-,136-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153579
(CHEMBL3774395)Show SMILES CCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C175H294N50O49/c1-29-33-37-56-128(231)197-123(84-133(240)241)161(266)214-119(80-91(13)14)162(267)221-136(98(22)226)166(271)218-120(81-99-47-38-36-39-48-99)158(263)215-121(82-100-85-187-86-192-100)159(264)213-117(78-89(9)10)157(262)212-116(77-88(7)8)155(260)204-106(55-46-75-191-172(185)186)147(252)207-112(62-69-131(236)237)153(258)220-134(92(15)16)165(270)217-118(79-90(11)12)156(261)208-111(61-68-130(234)235)152(257)201-101(49-34-30-2)142(247)193-94(18)138(243)198-104(53-44-73-189-170(181)182)143(248)194-95(19)139(244)200-110(60-67-129(232)233)151(256)209-113(58-65-125(178)228)163(268)224-173(23,24)167(272)196-96(20)140(245)199-108(57-64-124(177)227)150(255)206-109-59-66-127(230)188-72-43-41-52-107(219-168(273)174(25,26)223-141(246)97(21)195-144(109)249)149(254)216-122(83-126(179)229)160(265)205-105(54-45-74-190-171(183)184)146(251)202-103(51-40-42-71-176)148(253)211-115(76-87(5)6)154(259)203-102(50-35-31-3)145(250)210-114(63-70-132(238)239)164(269)225-175(27,28)169(274)222-135(137(180)242)93(17)32-4/h36,38-39,47-48,85-98,101-123,134-136,226H,29-35,37,40-46,49-84,176H2,1-28H3,(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,242)(H,187,192)(H,188,230)(H,193,247)(H,194,248)(H,195,249)(H,196,272)(H,197,231)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,273)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,101?,102?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,134-,135-,136-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153482
(CHEMBL3775357)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(CC(C)C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C180H304N50O49/c1-32-35-49-107(206-157(262)117(60-67-135(239)240)213-161(266)124(78-92(10)11)222-170(275)139(97(20)21)225-158(263)118(61-68-136(241)242)212-152(257)112(55-46-74-196-177(190)191)209-160(265)122(76-90(6)7)217-162(267)123(77-91(8)9)218-164(269)127(81-106-87-192-88-197-106)220-163(268)126(80-105-47-38-37-39-48-105)223-171(276)141(103(27)231)226-167(272)125(79-93(12)13)219-166(271)129(83-138(245)246)202-104(28)232)147(252)198-99(23)143(248)203-110(53-44-72-194-175(186)187)148(253)199-100(24)144(249)205-116(59-66-134(237)238)156(261)214-119(57-64-131(183)234)168(273)229-178(29,84-94(14)15)172(277)201-101(25)145(250)204-114(56-63-130(182)233)155(260)211-115-58-65-133(236)193-71-43-41-52-113(224-173(278)179(30,85-95(16)17)228-146(251)102(26)200-149(115)254)154(259)221-128(82-132(184)235)165(270)210-111(54-45-73-195-176(188)189)151(256)207-109(51-40-42-70-181)153(258)216-121(75-89(4)5)159(264)208-108(50-36-33-2)150(255)215-120(62-69-137(243)244)169(274)230-180(31,86-96(18)19)174(279)227-140(142(185)247)98(22)34-3/h37-39,47-48,87-103,107-129,139-141,231H,32-36,40-46,49-86,181H2,1-31H3,(H2,182,233)(H2,183,234)(H2,184,235)(H2,185,247)(H,192,197)(H,193,236)(H,198,252)(H,199,253)(H,200,254)(H,201,277)(H,202,232)(H,203,248)(H,204,250)(H,205,249)(H,206,262)(H,207,256)(H,208,264)(H,209,265)(H,210,270)(H,211,260)(H,212,257)(H,213,266)(H,214,261)(H,215,255)(H,216,258)(H,217,267)(H,218,269)(H,219,271)(H,220,268)(H,221,259)(H,222,275)(H,223,276)(H,224,278)(H,225,263)(H,226,272)(H,227,279)(H,228,251)(H,229,273)(H,230,274)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t98?,99?,100-,101-,102-,103+,107?,108?,109-,110-,111?,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129-,139-,140-,141-,178?,179?,180?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153577
(CHEMBL3774465)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CCC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C173H290N50O49/c1-29-33-48-99(199-150(255)109(59-66-128(232)233)206-154(259)116(77-88(11)12)215-163(268)132(90(15)16)218-151(256)110(60-67-129(234)235)205-145(250)104(54-44-73-189-170(183)184)202-153(258)114(75-86(7)8)210-155(260)115(76-87(9)10)211-157(262)119(80-98-83-185-84-190-98)213-156(261)118(79-97-46-36-35-37-47-97)216-164(269)134(96(22)224)219-160(265)117(78-89(13)14)212-159(264)121(82-131(238)239)195-126(229)45-31-3)140(245)191-92(18)136(241)196-102(52-42-71-187-168(179)180)141(246)192-93(19)137(242)198-108(58-65-127(230)231)149(254)207-111(56-63-123(176)226)161(266)222-171(23,24)165(270)194-94(20)138(243)197-106(55-62-122(175)225)148(253)204-107-57-64-125(228)186-70-41-39-51-105(217-166(271)172(25,26)221-139(244)95(21)193-142(107)247)147(252)214-120(81-124(177)227)158(263)203-103(53-43-72-188-169(181)182)144(249)200-101(50-38-40-69-174)146(251)209-113(74-85(5)6)152(257)201-100(49-34-30-2)143(248)208-112(61-68-130(236)237)162(267)223-173(27,28)167(272)220-133(135(178)240)91(17)32-4/h35-37,46-47,83-96,99-121,132-134,224H,29-34,38-45,48-82,174H2,1-28H3,(H2,175,225)(H2,176,226)(H2,177,227)(H2,178,240)(H,185,190)(H,186,228)(H,191,245)(H,192,246)(H,193,247)(H,194,270)(H,195,229)(H,196,241)(H,197,243)(H,198,242)(H,199,255)(H,200,249)(H,201,257)(H,202,258)(H,203,263)(H,204,253)(H,205,250)(H,206,259)(H,207,254)(H,208,248)(H,209,251)(H,210,260)(H,211,262)(H,212,264)(H,213,261)(H,214,252)(H,215,268)(H,216,269)(H,217,271)(H,218,256)(H,219,265)(H,220,272)(H,221,244)(H,222,266)(H,223,267)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/t91-,92-,93-,94-,95-,96+,99?,100?,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,132-,133-,134-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153482
(CHEMBL3775357)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(CC(C)C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C180H304N50O49/c1-32-35-49-107(206-157(262)117(60-67-135(239)240)213-161(266)124(78-92(10)11)222-170(275)139(97(20)21)225-158(263)118(61-68-136(241)242)212-152(257)112(55-46-74-196-177(190)191)209-160(265)122(76-90(6)7)217-162(267)123(77-91(8)9)218-164(269)127(81-106-87-192-88-197-106)220-163(268)126(80-105-47-38-37-39-48-105)223-171(276)141(103(27)231)226-167(272)125(79-93(12)13)219-166(271)129(83-138(245)246)202-104(28)232)147(252)198-99(23)143(248)203-110(53-44-72-194-175(186)187)148(253)199-100(24)144(249)205-116(59-66-134(237)238)156(261)214-119(57-64-131(183)234)168(273)229-178(29,84-94(14)15)172(277)201-101(25)145(250)204-114(56-63-130(182)233)155(260)211-115-58-65-133(236)193-71-43-41-52-113(224-173(278)179(30,85-95(16)17)228-146(251)102(26)200-149(115)254)154(259)221-128(82-132(184)235)165(270)210-111(54-45-73-195-176(188)189)151(256)207-109(51-40-42-70-181)153(258)216-121(75-89(4)5)159(264)208-108(50-36-33-2)150(255)215-120(62-69-137(243)244)169(274)230-180(31,86-96(18)19)174(279)227-140(142(185)247)98(22)34-3/h37-39,47-48,87-103,107-129,139-141,231H,32-36,40-46,49-86,181H2,1-31H3,(H2,182,233)(H2,183,234)(H2,184,235)(H2,185,247)(H,192,197)(H,193,236)(H,198,252)(H,199,253)(H,200,254)(H,201,277)(H,202,232)(H,203,248)(H,204,250)(H,205,249)(H,206,262)(H,207,256)(H,208,264)(H,209,265)(H,210,270)(H,211,260)(H,212,257)(H,213,266)(H,214,261)(H,215,255)(H,216,258)(H,217,267)(H,218,269)(H,219,271)(H,220,268)(H,221,259)(H,222,275)(H,223,276)(H,224,278)(H,225,263)(H,226,272)(H,227,279)(H,228,251)(H,229,273)(H,230,274)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t98?,99?,100-,101-,102-,103+,107?,108?,109-,110-,111?,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129-,139-,140-,141-,178?,179?,180?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153473
(CHEMBL3775796)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C179H298N52O49/c1-29-32-46-106(207-157(263)116(57-64-135(240)241)215-161(267)123(75-91(10)11)225-171(277)139(95(18)19)227-158(264)117(58-65-136(242)243)214-152(258)112(52-43-71-196-177(189)190)211-160(266)121(73-89(6)7)220-162(268)122(74-90(8)9)221-165(271)127(79-105-85-192-87-198-105)223-163(269)125(77-103-44-35-34-36-45-103)226-172(278)141(101(25)232)228-168(274)124(76-92(12)13)222-167(273)129(81-138(246)247)203-102(26)233)147(253)199-97(21)143(249)204-110(50-41-69-194-175(185)186)148(254)200-98(22)144(250)206-115(56-63-134(238)239)156(262)216-118(54-61-131(182)235)169(275)230-178(27,82-93(14)15)173(279)202-100(24)146(252)205-113(53-60-130(181)234)155(261)213-114-55-62-133(237)193-68-40-38-49-109(210-164(270)126(78-104-84-191-86-197-104)218-145(251)99(23)201-149(114)255)154(260)224-128(80-132(183)236)166(272)212-111(51-42-70-195-176(187)188)151(257)208-108(48-37-39-67-180)153(259)219-120(72-88(4)5)159(265)209-107(47-33-30-2)150(256)217-119(59-66-137(244)245)170(276)231-179(28,83-94(16)17)174(280)229-140(142(184)248)96(20)31-3/h34-36,44-45,84-101,106-129,139-141,232H,29-33,37-43,46-83,180H2,1-28H3,(H2,181,234)(H2,182,235)(H2,183,236)(H2,184,248)(H,191,197)(H,192,198)(H,193,237)(H,199,253)(H,200,254)(H,201,255)(H,202,279)(H,203,233)(H,204,249)(H,205,252)(H,206,250)(H,207,263)(H,208,257)(H,209,265)(H,210,270)(H,211,266)(H,212,272)(H,213,261)(H,214,258)(H,215,267)(H,216,262)(H,217,256)(H,218,251)(H,219,259)(H,220,268)(H,221,271)(H,222,273)(H,223,269)(H,224,260)(H,225,277)(H,226,278)(H,227,264)(H,228,274)(H,229,280)(H,230,275)(H,231,276)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H4,185,186,194)(H4,187,188,195)(H4,189,190,196)/t96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,127-,128-,129-,139-,140-,141-,178?,179?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153576
(CHEMBL3774742)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C172H288N50O49/c1-29-33-47-98(198-149(254)108(58-65-127(231)232)205-153(258)115(76-87(11)12)214-162(267)131(89(15)16)217-150(255)109(59-66-128(233)234)204-144(249)103(53-44-72-188-169(182)183)201-152(257)113(74-85(7)8)209-154(259)114(75-86(9)10)210-156(261)118(79-97-82-184-83-189-97)212-155(260)117(78-96-45-36-35-37-46-96)215-163(268)133(95(22)223)218-159(264)116(77-88(13)14)211-158(263)120(81-130(237)238)194-124(227)32-4)139(244)190-91(18)135(240)195-101(51-42-70-186-167(178)179)140(245)191-92(19)136(241)197-107(57-64-126(229)230)148(253)206-110(55-62-122(175)225)160(265)221-170(23,24)164(269)193-93(20)137(242)196-105(54-61-121(174)224)147(252)203-106-56-63-125(228)185-69-41-39-50-104(216-165(270)171(25,26)220-138(243)94(21)192-141(106)246)146(251)213-119(80-123(176)226)157(262)202-102(52-43-71-187-168(180)181)143(248)199-100(49-38-40-68-173)145(250)208-112(73-84(5)6)151(256)200-99(48-34-30-2)142(247)207-111(60-67-129(235)236)161(266)222-172(27,28)166(271)219-132(134(177)239)90(17)31-3/h35-37,45-46,82-95,98-120,131-133,223H,29-34,38-44,47-81,173H2,1-28H3,(H2,174,224)(H2,175,225)(H2,176,226)(H2,177,239)(H,184,189)(H,185,228)(H,190,244)(H,191,245)(H,192,246)(H,193,269)(H,194,227)(H,195,240)(H,196,242)(H,197,241)(H,198,254)(H,199,248)(H,200,256)(H,201,257)(H,202,262)(H,203,252)(H,204,249)(H,205,258)(H,206,253)(H,207,247)(H,208,250)(H,209,259)(H,210,261)(H,211,263)(H,212,260)(H,213,251)(H,214,267)(H,215,268)(H,216,270)(H,217,255)(H,218,264)(H,219,271)(H,220,243)(H,221,265)(H,222,266)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t90-,91-,92-,93-,94-,95+,98?,99?,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,119-,120-,131-,132-,133-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153578
(CHEMBL3775192)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CCCC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C174H292N50O49/c1-29-33-48-100(200-151(256)110(60-67-129(233)234)207-155(260)117(78-89(11)12)216-164(269)133(91(15)16)219-152(257)111(61-68-130(235)236)206-146(251)105(54-45-74-190-171(184)185)203-154(259)115(76-87(7)8)211-156(261)116(77-88(9)10)212-158(263)120(81-99-84-186-85-191-99)214-157(262)119(80-98-46-37-36-38-47-98)217-165(270)135(97(22)225)220-161(266)118(79-90(13)14)213-160(265)122(83-132(239)240)196-127(230)55-35-31-3)141(246)192-93(18)137(242)197-103(52-43-72-188-169(180)181)142(247)193-94(19)138(243)199-109(59-66-128(231)232)150(255)208-112(57-64-124(177)227)162(267)223-172(23,24)166(271)195-95(20)139(244)198-107(56-63-123(176)226)149(254)205-108-58-65-126(229)187-71-42-40-51-106(218-167(272)173(25,26)222-140(245)96(21)194-143(108)248)148(253)215-121(82-125(178)228)159(264)204-104(53-44-73-189-170(182)183)145(250)201-102(50-39-41-70-175)147(252)210-114(75-86(5)6)153(258)202-101(49-34-30-2)144(249)209-113(62-69-131(237)238)163(268)224-174(27,28)168(273)221-134(136(179)241)92(17)32-4/h36-38,46-47,84-97,100-122,133-135,225H,29-35,39-45,48-83,175H2,1-28H3,(H2,176,226)(H2,177,227)(H2,178,228)(H2,179,241)(H,186,191)(H,187,229)(H,192,246)(H,193,247)(H,194,248)(H,195,271)(H,196,230)(H,197,242)(H,198,244)(H,199,243)(H,200,256)(H,201,250)(H,202,258)(H,203,259)(H,204,264)(H,205,254)(H,206,251)(H,207,260)(H,208,255)(H,209,249)(H,210,252)(H,211,261)(H,212,263)(H,213,265)(H,214,262)(H,215,253)(H,216,269)(H,217,270)(H,218,272)(H,219,257)(H,220,266)(H,221,273)(H,222,245)(H,223,267)(H,224,268)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H4,180,181,188)(H4,182,183,189)(H4,184,185,190)/t92-,93-,94-,95-,96-,97+,100?,101?,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122-,133-,134-,135-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153575
(CHEMBL3775307)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C177H294N50O51/c1-27-29-47-103(204-155(261)113(58-65-133(238)239)211-158(264)119(75-89(9)10)221-169(275)137(92(15)16)223-156(262)114(59-66-134(240)241)210-149(255)108(52-42-71-193-175(187)188)207-157(263)116(72-86(3)4)214-159(265)118(74-88(7)8)215-163(269)123(79-102-84-189-85-194-102)218-162(268)122(78-101-45-34-31-35-46-101)222-170(276)139(98(22)228)224-166(272)120(76-90(11)12)216-165(271)125(81-135(242)243)199-99(23)229)145(251)195-94(18)141(247)200-106(50-40-69-191-173(183)184)146(252)196-95(19)142(248)203-112(57-64-132(236)237)154(260)212-115(54-61-128(180)231)167(273)226-176(24,25)171(277)198-97(21)144(250)201-109(53-60-127(179)230)152(258)209-110-55-62-130(233)190-68-39-37-49-105(206-153(259)111(56-63-131(234)235)202-143(249)96(20)197-147(110)253)151(257)219-124(80-129(181)232)164(270)208-107(51-41-70-192-174(185)186)148(254)205-104(48-36-38-67-178)150(256)213-117(73-87(5)6)160(266)217-121(77-100-43-32-30-33-44-100)161(267)220-126(82-136(244)245)168(274)227-177(26,83-91(13)14)172(278)225-138(140(182)246)93(17)28-2/h31,34-35,45-46,84-98,100,103-126,137-139,228H,27-30,32-33,36-44,47-83,178H2,1-26H3,(H2,179,230)(H2,180,231)(H2,181,232)(H2,182,246)(H,189,194)(H,190,233)(H,195,251)(H,196,252)(H,197,253)(H,198,277)(H,199,229)(H,200,247)(H,201,250)(H,202,249)(H,203,248)(H,204,261)(H,205,254)(H,206,259)(H,207,263)(H,208,270)(H,209,258)(H,210,255)(H,211,264)(H,212,260)(H,213,256)(H,214,265)(H,215,269)(H,216,271)(H,217,266)(H,218,268)(H,219,257)(H,220,267)(H,221,275)(H,222,276)(H,223,262)(H,224,272)(H,225,278)(H,226,273)(H,227,274)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H4,183,184,191)(H4,185,186,192)(H4,187,188,193)/t93-,94-,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-,137-,138-,139-,177?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153494
(CHEMBL3775621)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C182H296N52O49/c1-28-30-48-109(210-159(265)118(58-65-138(243)244)217-162(268)125(76-93(9)10)228-174(280)142(97(17)18)230-160(266)119(59-66-139(245)246)216-154(260)114(53-43-72-199-180(192)193)213-161(267)122(73-90(3)4)222-163(269)124(75-92(7)8)223-168(274)130(81-108-87-195-89-201-108)226-166(272)128(79-106-46-35-32-36-47-106)229-175(281)144(103(24)235)231-171(277)126(77-94(11)12)224-170(276)132(83-141(249)250)206-104(25)236)150(256)202-99(20)146(252)207-112(51-41-70-197-178(188)189)151(257)203-100(21)147(253)209-117(57-64-137(241)242)158(264)218-120(55-62-134(185)238)172(278)233-181(26,84-95(13)14)176(282)205-102(23)149(255)208-115(54-61-133(184)237)157(263)215-116-56-63-136(240)196-69-40-38-50-111(212-167(273)129(80-107-86-194-88-200-107)220-148(254)101(22)204-152(116)258)156(262)227-131(82-135(186)239)169(275)214-113(52-42-71-198-179(190)191)153(259)211-110(49-37-39-68-183)155(261)221-123(74-91(5)6)164(270)225-127(78-105-44-33-31-34-45-105)165(271)219-121(60-67-140(247)248)173(279)234-182(27,85-96(15)16)177(283)232-143(145(187)251)98(19)29-2/h31-36,44-47,86-103,109-132,142-144,235H,28-30,37-43,48-85,183H2,1-27H3,(H2,184,237)(H2,185,238)(H2,186,239)(H2,187,251)(H,194,200)(H,195,201)(H,196,240)(H,202,256)(H,203,257)(H,204,258)(H,205,282)(H,206,236)(H,207,252)(H,208,255)(H,209,253)(H,210,265)(H,211,259)(H,212,273)(H,213,267)(H,214,275)(H,215,263)(H,216,260)(H,217,268)(H,218,264)(H,219,271)(H,220,254)(H,221,261)(H,222,269)(H,223,274)(H,224,276)(H,225,270)(H,226,272)(H,227,262)(H,228,280)(H,229,281)(H,230,266)(H,231,277)(H,232,283)(H,233,278)(H,234,279)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H4,188,189,197)(H4,190,191,198)(H4,192,193,199)/t98-,99-,100-,101-,102-,103+,109?,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,130-,131-,132-,142-,143-,144-,181?,182?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153480
(CHEMBL3775195)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C176H296N50O49/c1-30-33-47-104(204-155(259)114(58-65-132(235)236)211-159(263)121(76-89(10)11)220-168(272)136(93(18)19)222-156(260)115(59-66-133(237)238)210-150(254)110(53-44-72-192-174(186)187)207-158(262)119(74-87(6)7)215-160(264)120(75-88(8)9)216-162(266)124(79-103-84-188-85-193-103)218-161(265)123(78-102-45-36-35-37-46-102)221-169(273)138(100(26)227)223-165(269)122(77-90(12)13)217-164(268)126(81-135(241)242)199-101(27)228)145(249)196-97(23)142(246)201-108(51-42-70-190-172(182)183)146(250)197-98(24)143(247)203-113(57-64-131(233)234)154(258)212-116(55-62-128(179)230)166(270)225-175(28,82-91(14)15)170(274)198-99(25)144(248)202-111(54-61-127(178)229)153(257)209-112-56-63-130(232)189-69-41-39-50-106(200-141(245)96(22)194-140(244)95(21)195-147(112)251)151(255)219-125(80-129(180)231)163(267)208-109(52-43-71-191-173(184)185)149(253)205-107(49-38-40-68-177)152(256)214-118(73-86(4)5)157(261)206-105(48-34-31-2)148(252)213-117(60-67-134(239)240)167(271)226-176(29,83-92(16)17)171(275)224-137(139(181)243)94(20)32-3/h35-37,45-46,84-100,104-126,136-138,227H,30-34,38-44,47-83,177H2,1-29H3,(H2,178,229)(H2,179,230)(H2,180,231)(H2,181,243)(H,188,193)(H,189,232)(H,194,244)(H,195,251)(H,196,249)(H,197,250)(H,198,274)(H,199,228)(H,200,245)(H,201,246)(H,202,248)(H,203,247)(H,204,259)(H,205,253)(H,206,261)(H,207,262)(H,208,267)(H,209,257)(H,210,254)(H,211,263)(H,212,258)(H,213,252)(H,214,256)(H,215,264)(H,216,266)(H,217,268)(H,218,265)(H,219,255)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,275)(H,225,270)(H,226,271)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t94?,95-,96-,97?,98-,99-,100+,104?,105?,106-,107-,108-,109?,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,136-,137-,138-,175?,176?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153577
(CHEMBL3774465)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CCC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C173H290N50O49/c1-29-33-48-99(199-150(255)109(59-66-128(232)233)206-154(259)116(77-88(11)12)215-163(268)132(90(15)16)218-151(256)110(60-67-129(234)235)205-145(250)104(54-44-73-189-170(183)184)202-153(258)114(75-86(7)8)210-155(260)115(76-87(9)10)211-157(262)119(80-98-83-185-84-190-98)213-156(261)118(79-97-46-36-35-37-47-97)216-164(269)134(96(22)224)219-160(265)117(78-89(13)14)212-159(264)121(82-131(238)239)195-126(229)45-31-3)140(245)191-92(18)136(241)196-102(52-42-71-187-168(179)180)141(246)192-93(19)137(242)198-108(58-65-127(230)231)149(254)207-111(56-63-123(176)226)161(266)222-171(23,24)165(270)194-94(20)138(243)197-106(55-62-122(175)225)148(253)204-107-57-64-125(228)186-70-41-39-51-105(217-166(271)172(25,26)221-139(244)95(21)193-142(107)247)147(252)214-120(81-124(177)227)158(263)203-103(53-43-72-188-169(181)182)144(249)200-101(50-38-40-69-174)146(251)209-113(74-85(5)6)152(257)201-100(49-34-30-2)143(248)208-112(61-68-130(236)237)162(267)223-173(27,28)167(272)220-133(135(178)240)91(17)32-4/h35-37,46-47,83-96,99-121,132-134,224H,29-34,38-45,48-82,174H2,1-28H3,(H2,175,225)(H2,176,226)(H2,177,227)(H2,178,240)(H,185,190)(H,186,228)(H,191,245)(H,192,246)(H,193,247)(H,194,270)(H,195,229)(H,196,241)(H,197,243)(H,198,242)(H,199,255)(H,200,249)(H,201,257)(H,202,258)(H,203,263)(H,204,253)(H,205,250)(H,206,259)(H,207,254)(H,208,248)(H,209,251)(H,210,260)(H,211,262)(H,212,264)(H,213,261)(H,214,252)(H,215,268)(H,216,269)(H,217,271)(H,218,256)(H,219,265)(H,220,272)(H,221,244)(H,222,266)(H,223,267)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/t91-,92-,93-,94-,95-,96+,99?,100?,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,132-,133-,134-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153477
(CHEMBL3775524)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C177H298N50O49/c1-31-34-48-104(203-154(259)114(59-66-132(236)237)210-158(263)121(77-90(10)11)219-167(272)136(94(18)19)222-155(260)115(60-67-133(238)239)209-149(254)109(54-45-73-193-174(187)188)206-157(262)119(75-88(6)7)214-159(264)120(76-89(8)9)215-161(266)124(80-103-85-189-86-194-103)217-160(265)123(79-102-46-37-36-38-47-102)220-168(273)138(100(25)228)223-164(269)122(78-91(12)13)216-163(268)126(82-135(242)243)199-101(26)229)144(249)195-96(21)140(245)200-107(52-43-71-191-172(183)184)145(250)196-97(22)141(246)202-113(58-65-131(234)235)153(258)211-116(56-63-128(180)231)165(270)226-176(29,83-92(14)15)170(275)198-98(23)142(247)201-111(55-62-127(179)230)152(257)208-112-57-64-130(233)190-70-42-40-51-110(221-169(274)175(27,28)225-143(248)99(24)197-146(112)251)151(256)218-125(81-129(181)232)162(267)207-108(53-44-72-192-173(185)186)148(253)204-106(50-39-41-69-178)150(255)213-118(74-87(4)5)156(261)205-105(49-35-32-2)147(252)212-117(61-68-134(240)241)166(271)227-177(30,84-93(16)17)171(276)224-137(139(182)244)95(20)33-3/h36-38,46-47,85-100,104-126,136-138,228H,31-35,39-45,48-84,178H2,1-30H3,(H2,179,230)(H2,180,231)(H2,181,232)(H2,182,244)(H,189,194)(H,190,233)(H,195,249)(H,196,250)(H,197,251)(H,198,275)(H,199,229)(H,200,245)(H,201,247)(H,202,246)(H,203,259)(H,204,253)(H,205,261)(H,206,262)(H,207,267)(H,208,257)(H,209,254)(H,210,263)(H,211,258)(H,212,252)(H,213,255)(H,214,264)(H,215,266)(H,216,268)(H,217,265)(H,218,256)(H,219,272)(H,220,273)(H,221,274)(H,222,260)(H,223,269)(H,224,276)(H,225,248)(H,226,270)(H,227,271)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,191)(H4,185,186,192)(H4,187,188,193)/t95?,96?,97-,98-,99-,100+,104?,105?,106-,107-,108?,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,136-,137-,138-,176?,177?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153473
(CHEMBL3775796)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C179H298N52O49/c1-29-32-46-106(207-157(263)116(57-64-135(240)241)215-161(267)123(75-91(10)11)225-171(277)139(95(18)19)227-158(264)117(58-65-136(242)243)214-152(258)112(52-43-71-196-177(189)190)211-160(266)121(73-89(6)7)220-162(268)122(74-90(8)9)221-165(271)127(79-105-85-192-87-198-105)223-163(269)125(77-103-44-35-34-36-45-103)226-172(278)141(101(25)232)228-168(274)124(76-92(12)13)222-167(273)129(81-138(246)247)203-102(26)233)147(253)199-97(21)143(249)204-110(50-41-69-194-175(185)186)148(254)200-98(22)144(250)206-115(56-63-134(238)239)156(262)216-118(54-61-131(182)235)169(275)230-178(27,82-93(14)15)173(279)202-100(24)146(252)205-113(53-60-130(181)234)155(261)213-114-55-62-133(237)193-68-40-38-49-109(210-164(270)126(78-104-84-191-86-197-104)218-145(251)99(23)201-149(114)255)154(260)224-128(80-132(183)236)166(272)212-111(51-42-70-195-176(187)188)151(257)208-108(48-37-39-67-180)153(259)219-120(72-88(4)5)159(265)209-107(47-33-30-2)150(256)217-119(59-66-137(244)245)170(276)231-179(28,83-94(16)17)174(280)229-140(142(184)248)96(20)31-3/h34-36,44-45,84-101,106-129,139-141,232H,29-33,37-43,46-83,180H2,1-28H3,(H2,181,234)(H2,182,235)(H2,183,236)(H2,184,248)(H,191,197)(H,192,198)(H,193,237)(H,199,253)(H,200,254)(H,201,255)(H,202,279)(H,203,233)(H,204,249)(H,205,252)(H,206,250)(H,207,263)(H,208,257)(H,209,265)(H,210,270)(H,211,266)(H,212,272)(H,213,261)(H,214,258)(H,215,267)(H,216,262)(H,217,256)(H,218,251)(H,219,259)(H,220,268)(H,221,271)(H,222,273)(H,223,269)(H,224,260)(H,225,277)(H,226,278)(H,227,264)(H,228,274)(H,229,280)(H,230,275)(H,231,276)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H4,185,186,194)(H4,187,188,195)(H4,189,190,196)/t96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,127-,128-,129-,139-,140-,141-,178?,179?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153576
(CHEMBL3774742)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C172H288N50O49/c1-29-33-47-98(198-149(254)108(58-65-127(231)232)205-153(258)115(76-87(11)12)214-162(267)131(89(15)16)217-150(255)109(59-66-128(233)234)204-144(249)103(53-44-72-188-169(182)183)201-152(257)113(74-85(7)8)209-154(259)114(75-86(9)10)210-156(261)118(79-97-82-184-83-189-97)212-155(260)117(78-96-45-36-35-37-46-96)215-163(268)133(95(22)223)218-159(264)116(77-88(13)14)211-158(263)120(81-130(237)238)194-124(227)32-4)139(244)190-91(18)135(240)195-101(51-42-70-186-167(178)179)140(245)191-92(19)136(241)197-107(57-64-126(229)230)148(253)206-110(55-62-122(175)225)160(265)221-170(23,24)164(269)193-93(20)137(242)196-105(54-61-121(174)224)147(252)203-106-56-63-125(228)185-69-41-39-50-104(216-165(270)171(25,26)220-138(243)94(21)192-141(106)246)146(251)213-119(80-123(176)226)157(262)202-102(52-43-71-187-168(180)181)143(248)199-100(49-38-40-68-173)145(250)208-112(73-84(5)6)151(256)200-99(48-34-30-2)142(247)207-111(60-67-129(235)236)161(266)222-172(27,28)166(271)219-132(134(177)239)90(17)31-3/h35-37,45-46,82-95,98-120,131-133,223H,29-34,38-44,47-81,173H2,1-28H3,(H2,174,224)(H2,175,225)(H2,176,226)(H2,177,239)(H,184,189)(H,185,228)(H,190,244)(H,191,245)(H,192,246)(H,193,269)(H,194,227)(H,195,240)(H,196,242)(H,197,241)(H,198,254)(H,199,248)(H,200,256)(H,201,257)(H,202,262)(H,203,252)(H,204,249)(H,205,258)(H,206,253)(H,207,247)(H,208,250)(H,209,259)(H,210,261)(H,211,263)(H,212,260)(H,213,251)(H,214,267)(H,215,268)(H,216,270)(H,217,255)(H,218,264)(H,219,271)(H,220,243)(H,221,265)(H,222,266)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t90-,91-,92-,93-,94-,95+,98?,99?,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,119-,120-,131-,132-,133-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153579
(CHEMBL3774395)Show SMILES CCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C175H294N50O49/c1-29-33-37-56-128(231)197-123(84-133(240)241)161(266)214-119(80-91(13)14)162(267)221-136(98(22)226)166(271)218-120(81-99-47-38-36-39-48-99)158(263)215-121(82-100-85-187-86-192-100)159(264)213-117(78-89(9)10)157(262)212-116(77-88(7)8)155(260)204-106(55-46-75-191-172(185)186)147(252)207-112(62-69-131(236)237)153(258)220-134(92(15)16)165(270)217-118(79-90(11)12)156(261)208-111(61-68-130(234)235)152(257)201-101(49-34-30-2)142(247)193-94(18)138(243)198-104(53-44-73-189-170(181)182)143(248)194-95(19)139(244)200-110(60-67-129(232)233)151(256)209-113(58-65-125(178)228)163(268)224-173(23,24)167(272)196-96(20)140(245)199-108(57-64-124(177)227)150(255)206-109-59-66-127(230)188-72-43-41-52-107(219-168(273)174(25,26)223-141(246)97(21)195-144(109)249)149(254)216-122(83-126(179)229)160(265)205-105(54-45-74-190-171(183)184)146(251)202-103(51-40-42-71-176)148(253)211-115(76-87(5)6)154(259)203-102(50-35-31-3)145(250)210-114(63-70-132(238)239)164(269)225-175(27,28)169(274)222-135(137(180)242)93(17)32-4/h36,38-39,47-48,85-98,101-123,134-136,226H,29-35,37,40-46,49-84,176H2,1-28H3,(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,242)(H,187,192)(H,188,230)(H,193,247)(H,194,248)(H,195,249)(H,196,272)(H,197,231)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,273)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,101?,102?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,134-,135-,136-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153485
(CHEMBL3774939)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C171H286N50O49/c1-29-32-46-98(197-148(253)108(57-64-126(230)231)204-152(257)115(75-86(10)11)213-161(266)130(88(14)15)216-149(254)109(58-65-127(232)233)203-143(248)103(52-43-71-187-168(181)182)200-151(256)113(73-84(6)7)208-153(258)114(74-85(8)9)209-155(260)118(78-97-81-183-82-188-97)211-154(259)117(77-96-44-35-34-36-45-96)214-162(267)132(94(21)222)217-158(263)116(76-87(12)13)210-157(262)120(80-129(236)237)193-95(22)223)138(243)189-90(17)134(239)194-101(50-41-69-185-166(177)178)139(244)190-91(18)135(240)196-107(56-63-125(228)229)147(252)205-110(54-61-122(174)225)159(264)220-169(23,24)163(268)192-92(19)136(241)195-105(53-60-121(173)224)146(251)202-106-55-62-124(227)184-68-40-38-49-104(215-164(269)170(25,26)219-137(242)93(20)191-140(106)245)145(250)212-119(79-123(175)226)156(261)201-102(51-42-70-186-167(179)180)142(247)198-100(48-37-39-67-172)144(249)207-112(72-83(4)5)150(255)199-99(47-33-30-2)141(246)206-111(59-66-128(234)235)160(265)221-171(27,28)165(270)218-131(133(176)238)89(16)31-3/h34-36,44-45,81-94,98-120,130-132,222H,29-33,37-43,46-80,172H2,1-28H3,(H2,173,224)(H2,174,225)(H2,175,226)(H2,176,238)(H,183,188)(H,184,227)(H,189,243)(H,190,244)(H,191,245)(H,192,268)(H,193,223)(H,194,239)(H,195,241)(H,196,240)(H,197,253)(H,198,247)(H,199,255)(H,200,256)(H,201,261)(H,202,251)(H,203,248)(H,204,257)(H,205,252)(H,206,246)(H,207,249)(H,208,258)(H,209,260)(H,210,262)(H,211,259)(H,212,250)(H,213,266)(H,214,267)(H,215,269)(H,216,254)(H,217,263)(H,218,270)(H,219,242)(H,220,264)(H,221,265)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)/t89-,90-,91-,92-,93-,94+,98?,99?,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,119-,120-,130-,131-,132-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153580
(CHEMBL3775761)Show SMILES CCCCCCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C179H302N50O49/c1-29-33-36-37-38-39-43-60-132(235)201-127(88-137(244)245)165(270)218-123(84-95(13)14)166(271)225-140(102(22)230)170(275)222-124(85-103-51-41-40-42-52-103)162(267)219-125(86-104-89-191-90-196-104)163(268)217-121(82-93(9)10)161(266)216-120(81-92(7)8)159(264)208-110(59-50-79-195-176(189)190)151(256)211-116(66-73-135(240)241)157(262)224-138(96(15)16)169(274)221-122(83-94(11)12)160(265)212-115(65-72-134(238)239)156(261)205-105(53-34-30-2)146(251)197-98(18)142(247)202-108(57-48-77-193-174(185)186)147(252)198-99(19)143(248)204-114(64-71-133(236)237)155(260)213-117(62-69-129(182)232)167(272)228-177(23,24)171(276)200-100(20)144(249)203-112(61-68-128(181)231)154(259)210-113-63-70-131(234)192-76-47-45-56-111(223-172(277)178(25,26)227-145(250)101(21)199-148(113)253)153(258)220-126(87-130(183)233)164(269)209-109(58-49-78-194-175(187)188)150(255)206-107(55-44-46-75-180)152(257)215-119(80-91(5)6)158(263)207-106(54-35-31-3)149(254)214-118(67-74-136(242)243)168(273)229-179(27,28)173(278)226-139(141(184)246)97(17)32-4/h40-42,51-52,89-102,105-127,138-140,230H,29-39,43-50,53-88,180H2,1-28H3,(H2,181,231)(H2,182,232)(H2,183,233)(H2,184,246)(H,191,196)(H,192,234)(H,197,251)(H,198,252)(H,199,253)(H,200,276)(H,201,235)(H,202,247)(H,203,249)(H,204,248)(H,205,261)(H,206,255)(H,207,263)(H,208,264)(H,209,269)(H,210,259)(H,211,256)(H,212,265)(H,213,260)(H,214,254)(H,215,257)(H,216,266)(H,217,268)(H,218,270)(H,219,267)(H,220,258)(H,221,274)(H,222,275)(H,223,277)(H,224,262)(H,225,271)(H,226,278)(H,227,250)(H,228,272)(H,229,273)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H4,185,186,193)(H4,187,188,194)(H4,189,190,195)/t97-,98-,99-,100-,101-,102+,105?,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,125-,126-,127-,138-,139-,140-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153489
(CHEMBL3775941)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(C(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C173H290N50O49/c1-30-33-47-100(199-150(255)110(58-65-128(232)233)206-154(259)117(76-87(10)11)215-163(268)132(89(14)15)218-151(256)111(59-66-129(234)235)205-145(250)105(53-44-72-189-170(183)184)202-153(258)115(74-85(6)7)210-155(260)116(75-86(8)9)211-157(262)120(79-99-82-185-83-190-99)213-156(261)119(78-98-45-36-35-37-46-98)216-164(269)134(96(23)224)219-160(265)118(77-88(12)13)212-159(264)122(81-131(238)239)195-97(24)225)140(245)191-92(19)136(241)196-103(51-42-70-187-168(179)180)141(246)192-93(20)137(242)198-109(57-64-127(230)231)149(254)207-112(55-62-124(176)227)161(266)222-171(25,26)165(270)194-94(21)138(243)197-107(54-61-123(175)226)148(253)204-108-56-63-126(229)186-69-41-39-50-106(217-166(271)172(27,28)221-139(244)95(22)193-142(108)247)147(252)214-121(80-125(177)228)158(263)203-104(52-43-71-188-169(181)182)144(249)200-102(49-38-40-68-174)146(251)209-114(73-84(4)5)152(257)201-101(48-34-31-2)143(248)208-113(60-67-130(236)237)162(267)223-173(29,90(16)17)167(272)220-133(135(178)240)91(18)32-3/h35-37,45-46,82-96,100-122,132-134,224H,30-34,38-44,47-81,174H2,1-29H3,(H2,175,226)(H2,176,227)(H2,177,228)(H2,178,240)(H,185,190)(H,186,229)(H,191,245)(H,192,246)(H,193,247)(H,194,270)(H,195,225)(H,196,241)(H,197,243)(H,198,242)(H,199,255)(H,200,249)(H,201,257)(H,202,258)(H,203,263)(H,204,253)(H,205,250)(H,206,259)(H,207,254)(H,208,248)(H,209,251)(H,210,260)(H,211,262)(H,212,264)(H,213,261)(H,214,252)(H,215,268)(H,216,269)(H,217,271)(H,218,256)(H,219,265)(H,220,272)(H,221,244)(H,222,266)(H,223,267)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/t91?,92-,93-,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-,132-,133-,134-,173?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153484
(CHEMBL3775678)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C173H286N52O49/c1-27-30-44-100(201-151(257)110(55-62-129(234)235)209-155(261)117(73-87(10)11)219-165(271)133(89(14)15)221-152(258)111(56-63-130(236)237)208-146(252)106(50-41-69-190-171(183)184)205-154(260)115(71-85(6)7)214-156(262)116(72-86(8)9)215-159(265)121(77-99-81-186-83-192-99)217-157(263)119(75-97-42-33-32-34-43-97)220-166(272)135(95(21)226)222-162(268)118(74-88(12)13)216-161(267)123(79-132(240)241)197-96(22)227)141(247)193-91(17)137(243)198-104(48-39-67-188-169(179)180)142(248)194-92(18)138(244)200-109(54-61-128(232)233)150(256)210-112(52-59-125(176)229)163(269)224-172(23,24)167(273)196-94(20)140(246)199-107(51-58-124(175)228)149(255)207-108-53-60-127(231)187-66-38-36-47-103(204-158(264)120(76-98-80-185-82-191-98)212-139(245)93(19)195-143(108)249)148(254)218-122(78-126(177)230)160(266)206-105(49-40-68-189-170(181)182)145(251)202-102(46-35-37-65-174)147(253)213-114(70-84(4)5)153(259)203-101(45-31-28-2)144(250)211-113(57-64-131(238)239)164(270)225-173(25,26)168(274)223-134(136(178)242)90(16)29-3/h32-34,42-43,80-95,100-123,133-135,226H,27-31,35-41,44-79,174H2,1-26H3,(H2,175,228)(H2,176,229)(H2,177,230)(H2,178,242)(H,185,191)(H,186,192)(H,187,231)(H,193,247)(H,194,248)(H,195,249)(H,196,273)(H,197,227)(H,198,243)(H,199,246)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,264)(H,205,260)(H,206,266)(H,207,255)(H,208,252)(H,209,261)(H,210,256)(H,211,250)(H,212,245)(H,213,253)(H,214,262)(H,215,265)(H,216,267)(H,217,263)(H,218,254)(H,219,271)(H,220,272)(H,221,258)(H,222,268)(H,223,274)(H,224,269)(H,225,270)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)/t90-,91-,92-,93-,94-,95+,100?,101?,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122-,123-,133-,134-,135-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153574
(CHEMBL3775778)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C177H296N52O47/c1-30-33-47-106(206-156(260)116(58-64-134(238)239)214-160(264)122(74-90(10)11)223-169(273)137(94(18)19)225-157(261)117(59-65-135(240)241)213-151(255)112(53-44-70-194-175(187)188)210-159(263)120(72-88(6)7)218-161(265)121(73-89(8)9)219-164(268)126(78-105-84-190-86-196-105)221-162(266)124(76-103-45-36-35-37-46-103)224-170(274)139(101(26)230)226-167(271)123(75-91(12)13)220-166(270)128(80-136(242)243)202-102(27)231)146(250)197-96(21)141(245)203-110(51-42-68-192-173(183)184)148(252)198-97(22)142(246)205-115(57-63-133(236)237)155(259)215-118(55-61-130(180)233)168(272)229-176(28,81-92(14)15)171(275)201-99(24)144(248)204-113(54-60-129(179)232)154(258)212-114-56-62-132(235)191-67-41-39-50-109(209-163(267)125(77-104-83-189-85-195-104)216-143(247)98(23)199-149(114)253)153(257)222-127(79-131(181)234)165(269)211-111(52-43-69-193-174(185)186)150(254)207-108(49-38-40-66-178)152(256)217-119(71-87(4)5)158(262)208-107(48-34-31-2)147(251)200-100(25)145(249)228-177(29,82-93(16)17)172(276)227-138(140(182)244)95(20)32-3/h35-37,45-46,83-101,106-128,137-139,230H,30-34,38-44,47-82,178H2,1-29H3,(H2,179,232)(H2,180,233)(H2,181,234)(H2,182,244)(H,189,195)(H,190,196)(H,191,235)(H,197,250)(H,198,252)(H,199,253)(H,200,251)(H,201,275)(H,202,231)(H,203,245)(H,204,248)(H,205,246)(H,206,260)(H,207,254)(H,208,262)(H,209,267)(H,210,263)(H,211,269)(H,212,258)(H,213,255)(H,214,264)(H,215,259)(H,216,247)(H,217,256)(H,218,265)(H,219,268)(H,220,270)(H,221,266)(H,222,257)(H,223,273)(H,224,274)(H,225,261)(H,226,271)(H,227,276)(H,228,249)(H,229,272)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t95-,96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,125-,126-,127-,128-,137-,138-,139-,176?,177?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153481
(CHEMBL3774868)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C183H302N52O50/c1-29-32-46-109(211-160(267)119(61-68-138(244)245)219-164(271)126(79-93(10)11)229-174(281)142(97(18)19)231-161(268)120(62-69-139(246)247)218-155(262)115(52-43-75-200-180(193)194)215-163(270)124(77-91(6)7)224-165(272)125(78-92(8)9)225-168(275)130(83-108-88-196-89-201-108)227-167(274)129(81-105-44-35-34-36-45-105)230-175(282)144(103(25)236)232-171(278)127(80-94(12)13)226-170(277)132(85-141(250)251)206-104(26)237)150(257)202-99(21)146(253)208-113(50-41-73-198-178(189)190)151(258)203-100(22)147(254)210-118(60-67-137(242)243)159(266)220-121(58-65-134(186)239)172(279)234-182(27,86-95(14)15)176(283)205-102(24)149(256)209-116(57-64-133(185)238)158(265)217-117-59-66-136(241)197-72-40-38-49-112(214-166(273)128(222-148(255)101(23)204-152(117)259)82-106-53-55-107(56-54-106)207-181(195)285)157(264)228-131(84-135(187)240)169(276)216-114(51-42-74-199-179(191)192)154(261)212-111(48-37-39-71-184)156(263)223-123(76-90(4)5)162(269)213-110(47-33-30-2)153(260)221-122(63-70-140(248)249)173(280)235-183(28,87-96(16)17)177(284)233-143(145(188)252)98(20)31-3/h34-36,44-45,53-56,88-103,109-132,142-144,236H,29-33,37-43,46-52,57-87,184H2,1-28H3,(H2,185,238)(H2,186,239)(H2,187,240)(H2,188,252)(H,196,201)(H,197,241)(H,202,257)(H,203,258)(H,204,259)(H,205,283)(H,206,237)(H,208,253)(H,209,256)(H,210,254)(H,211,267)(H,212,261)(H,213,269)(H,214,273)(H,215,270)(H,216,276)(H,217,265)(H,218,262)(H,219,271)(H,220,266)(H,221,260)(H,222,255)(H,223,263)(H,224,272)(H,225,275)(H,226,277)(H,227,274)(H,228,264)(H,229,281)(H,230,282)(H,231,268)(H,232,278)(H,233,284)(H,234,279)(H,235,280)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)(H3,195,207,285)/t98-,99-,100-,101-,102-,103+,109?,110?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129+,130-,131-,132-,142-,143-,144-,182?,183?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153491
(CHEMBL3775596)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C179H298N52O49/c1-29-32-46-106(207-157(263)116(57-64-135(240)241)215-161(267)123(75-91(10)11)225-171(277)139(95(18)19)227-158(264)117(58-65-136(242)243)214-152(258)112(52-43-71-196-177(189)190)211-160(266)121(73-89(6)7)220-162(268)122(74-90(8)9)221-165(271)127(79-105-85-192-87-198-105)223-163(269)125(77-103-44-35-34-36-45-103)226-172(278)141(101(25)232)228-168(274)124(76-92(12)13)222-167(273)129(81-138(246)247)203-102(26)233)147(253)199-97(21)143(249)204-110(50-41-69-194-175(185)186)148(254)200-98(22)144(250)206-115(56-63-134(238)239)156(262)216-118(54-61-131(182)235)169(275)230-178(27,82-93(14)15)173(279)202-100(24)146(252)205-113(53-60-130(181)234)155(261)213-114-55-62-133(237)193-68-40-38-49-109(210-164(270)126(78-104-84-191-86-197-104)218-145(251)99(23)201-149(114)255)154(260)224-128(80-132(183)236)166(272)212-111(51-42-70-195-176(187)188)151(257)208-108(48-37-39-67-180)153(259)219-120(72-88(4)5)159(265)209-107(47-33-30-2)150(256)217-119(59-66-137(244)245)170(276)231-179(28,83-94(16)17)174(280)229-140(142(184)248)96(20)31-3/h34-36,44-45,84-101,106-129,139-141,232H,29-33,37-43,46-83,180H2,1-28H3,(H2,181,234)(H2,182,235)(H2,183,236)(H2,184,248)(H,191,197)(H,192,198)(H,193,237)(H,199,253)(H,200,254)(H,201,255)(H,202,279)(H,203,233)(H,204,249)(H,205,252)(H,206,250)(H,207,263)(H,208,257)(H,209,265)(H,210,270)(H,211,266)(H,212,272)(H,213,261)(H,214,258)(H,215,267)(H,216,262)(H,217,256)(H,218,251)(H,219,259)(H,220,268)(H,221,271)(H,222,273)(H,223,269)(H,224,260)(H,225,277)(H,226,278)(H,227,264)(H,228,274)(H,229,280)(H,230,275)(H,231,276)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H4,185,186,194)(H4,187,188,195)(H4,189,190,196)/t96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116?,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,127-,128-,129-,139-,140-,141-,178?,179?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153482
(CHEMBL3775357)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(CC(C)C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C180H304N50O49/c1-32-35-49-107(206-157(262)117(60-67-135(239)240)213-161(266)124(78-92(10)11)222-170(275)139(97(20)21)225-158(263)118(61-68-136(241)242)212-152(257)112(55-46-74-196-177(190)191)209-160(265)122(76-90(6)7)217-162(267)123(77-91(8)9)218-164(269)127(81-106-87-192-88-197-106)220-163(268)126(80-105-47-38-37-39-48-105)223-171(276)141(103(27)231)226-167(272)125(79-93(12)13)219-166(271)129(83-138(245)246)202-104(28)232)147(252)198-99(23)143(248)203-110(53-44-72-194-175(186)187)148(253)199-100(24)144(249)205-116(59-66-134(237)238)156(261)214-119(57-64-131(183)234)168(273)229-178(29,84-94(14)15)172(277)201-101(25)145(250)204-114(56-63-130(182)233)155(260)211-115-58-65-133(236)193-71-43-41-52-113(224-173(278)179(30,85-95(16)17)228-146(251)102(26)200-149(115)254)154(259)221-128(82-132(184)235)165(270)210-111(54-45-73-195-176(188)189)151(256)207-109(51-40-42-70-181)153(258)216-121(75-89(4)5)159(264)208-108(50-36-33-2)150(255)215-120(62-69-137(243)244)169(274)230-180(31,86-96(18)19)174(279)227-140(142(185)247)98(22)34-3/h37-39,47-48,87-103,107-129,139-141,231H,32-36,40-46,49-86,181H2,1-31H3,(H2,182,233)(H2,183,234)(H2,184,235)(H2,185,247)(H,192,197)(H,193,236)(H,198,252)(H,199,253)(H,200,254)(H,201,277)(H,202,232)(H,203,248)(H,204,250)(H,205,249)(H,206,262)(H,207,256)(H,208,264)(H,209,265)(H,210,270)(H,211,260)(H,212,257)(H,213,266)(H,214,261)(H,215,255)(H,216,258)(H,217,267)(H,218,269)(H,219,271)(H,220,268)(H,221,259)(H,222,275)(H,223,276)(H,224,278)(H,225,263)(H,226,272)(H,227,279)(H,228,251)(H,229,273)(H,230,274)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t98?,99?,100-,101-,102-,103+,107?,108?,109-,110-,111?,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129-,139-,140-,141-,178?,179?,180?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153488
(CHEMBL3775288)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(Cc1ccccc1)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C183H294N50O49/c1-27-30-54-110(209-160(265)120(65-72-138(242)243)216-164(269)127(83-96(10)11)225-173(278)142(98(14)15)228-161(266)121(66-73-139(244)245)215-155(260)115(60-47-79-199-180(193)194)212-163(268)125(81-94(6)7)220-165(270)126(82-95(8)9)221-167(272)130(86-109-91-195-92-200-109)223-166(271)129(85-106-48-35-32-36-49-106)226-174(279)144(104(21)234)229-170(275)128(84-97(12)13)222-169(274)132(88-141(248)249)205-105(22)235)150(255)201-100(17)146(251)206-113(58-45-77-197-178(189)190)151(256)202-101(18)147(252)208-119(64-71-137(240)241)159(264)217-122(62-69-134(186)237)171(276)232-182(25,89-107-50-37-33-38-51-107)176(281)204-102(19)148(253)207-117(61-68-133(185)236)158(263)214-118-63-70-136(239)196-76-44-42-57-116(227-175(280)181(23,24)231-149(254)103(20)203-152(118)257)157(262)224-131(87-135(187)238)168(273)213-114(59-46-78-198-179(191)192)154(259)210-112(56-41-43-75-184)156(261)219-124(80-93(4)5)162(267)211-111(55-31-28-2)153(258)218-123(67-74-140(246)247)172(277)233-183(26,90-108-52-39-34-40-53-108)177(282)230-143(145(188)250)99(16)29-3/h32-40,48-53,91-104,110-132,142-144,234H,27-31,41-47,54-90,184H2,1-26H3,(H2,185,236)(H2,186,237)(H2,187,238)(H2,188,250)(H,195,200)(H,196,239)(H,201,255)(H,202,256)(H,203,257)(H,204,281)(H,205,235)(H,206,251)(H,207,253)(H,208,252)(H,209,265)(H,210,259)(H,211,267)(H,212,268)(H,213,273)(H,214,263)(H,215,260)(H,216,269)(H,217,264)(H,218,258)(H,219,261)(H,220,270)(H,221,272)(H,222,274)(H,223,271)(H,224,262)(H,225,278)(H,226,279)(H,227,280)(H,228,266)(H,229,275)(H,230,282)(H,231,254)(H,232,276)(H,233,277)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t99-,100-,101-,102-,103-,104+,110?,111?,112-,113-,114-,115-,116-,117-,118-,119-,120?,121-,122-,123-,124-,125-,126-,127-,128-,129+,130-,131-,132-,142-,143-,144-,182?,183?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153477
(CHEMBL3775524)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C177H298N50O49/c1-31-34-48-104(203-154(259)114(59-66-132(236)237)210-158(263)121(77-90(10)11)219-167(272)136(94(18)19)222-155(260)115(60-67-133(238)239)209-149(254)109(54-45-73-193-174(187)188)206-157(262)119(75-88(6)7)214-159(264)120(76-89(8)9)215-161(266)124(80-103-85-189-86-194-103)217-160(265)123(79-102-46-37-36-38-47-102)220-168(273)138(100(25)228)223-164(269)122(78-91(12)13)216-163(268)126(82-135(242)243)199-101(26)229)144(249)195-96(21)140(245)200-107(52-43-71-191-172(183)184)145(250)196-97(22)141(246)202-113(58-65-131(234)235)153(258)211-116(56-63-128(180)231)165(270)226-176(29,83-92(14)15)170(275)198-98(23)142(247)201-111(55-62-127(179)230)152(257)208-112-57-64-130(233)190-70-42-40-51-110(221-169(274)175(27,28)225-143(248)99(24)197-146(112)251)151(256)218-125(81-129(181)232)162(267)207-108(53-44-72-192-173(185)186)148(253)204-106(50-39-41-69-178)150(255)213-118(74-87(4)5)156(261)205-105(49-35-32-2)147(252)212-117(61-68-134(240)241)166(271)227-177(30,84-93(16)17)171(276)224-137(139(182)244)95(20)33-3/h36-38,46-47,85-100,104-126,136-138,228H,31-35,39-45,48-84,178H2,1-30H3,(H2,179,230)(H2,180,231)(H2,181,232)(H2,182,244)(H,189,194)(H,190,233)(H,195,249)(H,196,250)(H,197,251)(H,198,275)(H,199,229)(H,200,245)(H,201,247)(H,202,246)(H,203,259)(H,204,253)(H,205,261)(H,206,262)(H,207,267)(H,208,257)(H,209,254)(H,210,263)(H,211,258)(H,212,252)(H,213,255)(H,214,264)(H,215,266)(H,216,268)(H,217,265)(H,218,256)(H,219,272)(H,220,273)(H,221,274)(H,222,260)(H,223,269)(H,224,276)(H,225,248)(H,226,270)(H,227,271)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,191)(H4,185,186,192)(H4,187,188,193)/t95?,96?,97-,98-,99-,100+,104?,105?,106-,107-,108?,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,136-,137-,138-,176?,177?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153486
(CHEMBL3775437)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C177H290N50O49/c1-28-31-50-104(203-154(259)114(61-68-132(236)237)210-158(263)121(79-91(10)11)219-167(272)136(93(14)15)222-155(260)115(62-69-133(238)239)209-149(254)109(56-45-75-193-174(187)188)206-157(262)119(77-89(6)7)214-159(264)120(78-90(8)9)215-161(266)124(82-103-86-189-87-194-103)217-160(265)123(81-101-46-35-33-36-47-101)220-168(273)138(99(21)228)223-164(269)122(80-92(12)13)216-163(268)126(84-135(242)243)199-100(22)229)144(249)195-95(17)140(245)200-107(54-43-73-191-172(183)184)145(250)196-96(18)141(246)202-113(60-67-131(234)235)153(258)211-116(58-65-128(180)231)166(271)227-177(27,85-102-48-37-34-38-49-102)171(276)198-97(19)142(247)201-111(57-64-127(179)230)152(257)208-112-59-66-130(233)190-72-42-40-53-110(221-169(274)175(23,24)225-143(248)98(20)197-146(112)251)151(256)218-125(83-129(181)232)162(267)207-108(55-44-74-192-173(185)186)148(253)204-106(52-39-41-71-178)150(255)213-118(76-88(4)5)156(261)205-105(51-32-29-2)147(252)212-117(63-70-134(240)241)165(270)226-176(25,26)170(275)224-137(139(182)244)94(16)30-3/h33-38,46-49,86-99,104-126,136-138,228H,28-32,39-45,50-85,178H2,1-27H3,(H2,179,230)(H2,180,231)(H2,181,232)(H2,182,244)(H,189,194)(H,190,233)(H,195,249)(H,196,250)(H,197,251)(H,198,276)(H,199,229)(H,200,245)(H,201,247)(H,202,246)(H,203,259)(H,204,253)(H,205,261)(H,206,262)(H,207,267)(H,208,257)(H,209,254)(H,210,263)(H,211,258)(H,212,252)(H,213,255)(H,214,264)(H,215,266)(H,216,268)(H,217,265)(H,218,256)(H,219,272)(H,220,273)(H,221,274)(H,222,260)(H,223,269)(H,224,275)(H,225,248)(H,226,270)(H,227,271)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,191)(H4,185,186,192)(H4,187,188,193)/t94-,95-,96-,97-,98-,99+,104?,105?,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,136-,137-,138-,177?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153496
(CHEMBL3775812)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C186H298N52O49/c1-28-30-47-113(214-163(269)122(59-66-142(247)248)221-166(272)129(77-95(9)10)232-178(284)146(99(17)18)234-164(270)123(60-67-143(249)250)220-158(264)118(52-42-73-203-184(196)197)217-165(271)126(74-92(3)4)226-167(273)128(76-94(7)8)227-172(278)134(83-112-89-199-91-205-112)230-170(276)131(80-107-43-32-31-33-44-107)233-179(285)148(105(24)239)235-175(281)130(78-96(11)12)228-174(280)136(85-145(253)254)210-106(25)240)154(260)206-101(20)150(256)211-116(50-40-71-201-182(192)193)155(261)207-102(21)151(257)213-121(58-65-141(245)246)162(268)222-124(56-63-138(189)242)176(282)237-185(26,86-97(13)14)180(286)209-104(23)153(259)212-119(55-62-137(188)241)161(267)219-120-57-64-140(244)200-70-39-37-49-115(216-171(277)133(82-111-88-198-90-204-111)224-152(258)103(22)208-156(120)262)160(266)231-135(84-139(190)243)173(279)218-117(51-41-72-202-183(194)195)157(263)215-114(48-36-38-69-187)159(265)225-127(75-93(5)6)168(274)229-132(81-108-53-54-109-45-34-35-46-110(109)79-108)169(275)223-125(61-68-144(251)252)177(283)238-186(27,87-98(15)16)181(287)236-147(149(191)255)100(19)29-2/h31-35,43-46,53-54,79,88-105,113-136,146-148,239H,28-30,36-42,47-52,55-78,80-87,187H2,1-27H3,(H2,188,241)(H2,189,242)(H2,190,243)(H2,191,255)(H,198,204)(H,199,205)(H,200,244)(H,206,260)(H,207,261)(H,208,262)(H,209,286)(H,210,240)(H,211,256)(H,212,259)(H,213,257)(H,214,269)(H,215,263)(H,216,277)(H,217,271)(H,218,279)(H,219,267)(H,220,264)(H,221,272)(H,222,268)(H,223,275)(H,224,258)(H,225,265)(H,226,273)(H,227,278)(H,228,280)(H,229,274)(H,230,276)(H,231,266)(H,232,284)(H,233,285)(H,234,270)(H,235,281)(H,236,287)(H,237,282)(H,238,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,192,193,201)(H4,194,195,202)(H4,196,197,203)/t100-,101-,102-,103-,104-,105+,113?,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131+,132?,133-,134-,135-,136-,146-,147-,148-,185?,186?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153495
(CHEMBL3774594)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1cccc2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C186H298N52O49/c1-28-30-50-113(214-163(269)122(60-67-142(247)248)221-166(272)129(78-95(9)10)232-178(284)146(99(17)18)234-164(270)123(61-68-143(249)250)220-158(264)118(55-43-74-203-184(196)197)217-165(271)126(75-92(3)4)226-167(273)128(77-94(7)8)227-172(278)134(83-111-89-199-91-205-111)230-169(275)131(80-107-44-32-31-33-45-107)233-179(285)148(105(24)239)235-175(281)130(79-96(11)12)228-174(280)136(85-145(253)254)210-106(25)240)154(260)206-101(20)150(256)211-116(53-41-72-201-182(192)193)155(261)207-102(21)151(257)213-121(59-66-141(245)246)162(268)222-124(57-64-138(189)242)176(282)237-185(26,86-97(13)14)180(286)209-104(23)153(259)212-119(56-63-137(188)241)161(267)219-120-58-65-140(244)200-71-39-37-52-115(216-171(277)133(82-110-88-198-90-204-110)224-152(258)103(22)208-156(120)262)160(266)231-135(84-139(190)243)173(279)218-117(54-42-73-202-183(194)195)157(263)215-114(51-36-38-70-187)159(265)225-127(76-93(5)6)168(274)229-132(81-109-48-40-47-108-46-34-35-49-112(108)109)170(276)223-125(62-69-144(251)252)177(283)238-186(27,87-98(15)16)181(287)236-147(149(191)255)100(19)29-2/h31-35,40,44-49,88-105,113-136,146-148,239H,28-30,36-39,41-43,50-87,187H2,1-27H3,(H2,188,241)(H2,189,242)(H2,190,243)(H2,191,255)(H,198,204)(H,199,205)(H,200,244)(H,206,260)(H,207,261)(H,208,262)(H,209,286)(H,210,240)(H,211,256)(H,212,259)(H,213,257)(H,214,269)(H,215,263)(H,216,277)(H,217,271)(H,218,279)(H,219,267)(H,220,264)(H,221,272)(H,222,268)(H,223,276)(H,224,258)(H,225,265)(H,226,273)(H,227,278)(H,228,280)(H,229,274)(H,230,275)(H,231,266)(H,232,284)(H,233,285)(H,234,270)(H,235,281)(H,236,287)(H,237,282)(H,238,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,192,193,201)(H4,194,195,202)(H4,196,197,203)/t100-,101-,102-,103-,104-,105+,113?,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131+,132?,133-,134-,135-,136-,146-,147-,148-,185?,186?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153580
(CHEMBL3775761)Show SMILES CCCCCCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C179H302N50O49/c1-29-33-36-37-38-39-43-60-132(235)201-127(88-137(244)245)165(270)218-123(84-95(13)14)166(271)225-140(102(22)230)170(275)222-124(85-103-51-41-40-42-52-103)162(267)219-125(86-104-89-191-90-196-104)163(268)217-121(82-93(9)10)161(266)216-120(81-92(7)8)159(264)208-110(59-50-79-195-176(189)190)151(256)211-116(66-73-135(240)241)157(262)224-138(96(15)16)169(274)221-122(83-94(11)12)160(265)212-115(65-72-134(238)239)156(261)205-105(53-34-30-2)146(251)197-98(18)142(247)202-108(57-48-77-193-174(185)186)147(252)198-99(19)143(248)204-114(64-71-133(236)237)155(260)213-117(62-69-129(182)232)167(272)228-177(23,24)171(276)200-100(20)144(249)203-112(61-68-128(181)231)154(259)210-113-63-70-131(234)192-76-47-45-56-111(223-172(277)178(25,26)227-145(250)101(21)199-148(113)253)153(258)220-126(87-130(183)233)164(269)209-109(58-49-78-194-175(187)188)150(255)206-107(55-44-46-75-180)152(257)215-119(80-91(5)6)158(263)207-106(54-35-31-3)149(254)214-118(67-74-136(242)243)168(273)229-179(27,28)173(278)226-139(141(184)246)97(17)32-4/h40-42,51-52,89-102,105-127,138-140,230H,29-39,43-50,53-88,180H2,1-28H3,(H2,181,231)(H2,182,232)(H2,183,233)(H2,184,246)(H,191,196)(H,192,234)(H,197,251)(H,198,252)(H,199,253)(H,200,276)(H,201,235)(H,202,247)(H,203,249)(H,204,248)(H,205,261)(H,206,255)(H,207,263)(H,208,264)(H,209,269)(H,210,259)(H,211,256)(H,212,265)(H,213,260)(H,214,254)(H,215,257)(H,216,266)(H,217,268)(H,218,270)(H,219,267)(H,220,258)(H,221,274)(H,222,275)(H,223,277)(H,224,262)(H,225,271)(H,226,278)(H,227,250)(H,228,272)(H,229,273)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H4,185,186,193)(H4,187,188,194)(H4,189,190,195)/t97-,98-,99-,100-,101-,102+,105?,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,125-,126-,127-,138-,139-,140-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153480
(CHEMBL3775195)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C176H296N50O49/c1-30-33-47-104(204-155(259)114(58-65-132(235)236)211-159(263)121(76-89(10)11)220-168(272)136(93(18)19)222-156(260)115(59-66-133(237)238)210-150(254)110(53-44-72-192-174(186)187)207-158(262)119(74-87(6)7)215-160(264)120(75-88(8)9)216-162(266)124(79-103-84-188-85-193-103)218-161(265)123(78-102-45-36-35-37-46-102)221-169(273)138(100(26)227)223-165(269)122(77-90(12)13)217-164(268)126(81-135(241)242)199-101(27)228)145(249)196-97(23)142(246)201-108(51-42-70-190-172(182)183)146(250)197-98(24)143(247)203-113(57-64-131(233)234)154(258)212-116(55-62-128(179)230)166(270)225-175(28,82-91(14)15)170(274)198-99(25)144(248)202-111(54-61-127(178)229)153(257)209-112-56-63-130(232)189-69-41-39-50-106(200-141(245)96(22)194-140(244)95(21)195-147(112)251)151(255)219-125(80-129(180)231)163(267)208-109(52-43-71-191-173(184)185)149(253)205-107(49-38-40-68-177)152(256)214-118(73-86(4)5)157(261)206-105(48-34-31-2)148(252)213-117(60-67-134(239)240)167(271)226-176(29,83-92(16)17)171(275)224-137(139(181)243)94(20)32-3/h35-37,45-46,84-100,104-126,136-138,227H,30-34,38-44,47-83,177H2,1-29H3,(H2,178,229)(H2,179,230)(H2,180,231)(H2,181,243)(H,188,193)(H,189,232)(H,194,244)(H,195,251)(H,196,249)(H,197,250)(H,198,274)(H,199,228)(H,200,245)(H,201,246)(H,202,248)(H,203,247)(H,204,259)(H,205,253)(H,206,261)(H,207,262)(H,208,267)(H,209,257)(H,210,254)(H,211,263)(H,212,258)(H,213,252)(H,214,256)(H,215,264)(H,216,266)(H,217,268)(H,218,265)(H,219,255)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,275)(H,225,270)(H,226,271)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t94?,95-,96-,97?,98-,99-,100+,104?,105?,106-,107-,108-,109?,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,136-,137-,138-,175?,176?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153480
(CHEMBL3775195)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C176H296N50O49/c1-30-33-47-104(204-155(259)114(58-65-132(235)236)211-159(263)121(76-89(10)11)220-168(272)136(93(18)19)222-156(260)115(59-66-133(237)238)210-150(254)110(53-44-72-192-174(186)187)207-158(262)119(74-87(6)7)215-160(264)120(75-88(8)9)216-162(266)124(79-103-84-188-85-193-103)218-161(265)123(78-102-45-36-35-37-46-102)221-169(273)138(100(26)227)223-165(269)122(77-90(12)13)217-164(268)126(81-135(241)242)199-101(27)228)145(249)196-97(23)142(246)201-108(51-42-70-190-172(182)183)146(250)197-98(24)143(247)203-113(57-64-131(233)234)154(258)212-116(55-62-128(179)230)166(270)225-175(28,82-91(14)15)170(274)198-99(25)144(248)202-111(54-61-127(178)229)153(257)209-112-56-63-130(232)189-69-41-39-50-106(200-141(245)96(22)194-140(244)95(21)195-147(112)251)151(255)219-125(80-129(180)231)163(267)208-109(52-43-71-191-173(184)185)149(253)205-107(49-38-40-68-177)152(256)214-118(73-86(4)5)157(261)206-105(48-34-31-2)148(252)213-117(60-67-134(239)240)167(271)226-176(29,83-92(16)17)171(275)224-137(139(181)243)94(20)32-3/h35-37,45-46,84-100,104-126,136-138,227H,30-34,38-44,47-83,177H2,1-29H3,(H2,178,229)(H2,179,230)(H2,180,231)(H2,181,243)(H,188,193)(H,189,232)(H,194,244)(H,195,251)(H,196,249)(H,197,250)(H,198,274)(H,199,228)(H,200,245)(H,201,246)(H,202,248)(H,203,247)(H,204,259)(H,205,253)(H,206,261)(H,207,262)(H,208,267)(H,209,257)(H,210,254)(H,211,263)(H,212,258)(H,213,252)(H,214,256)(H,215,264)(H,216,266)(H,217,268)(H,218,265)(H,219,255)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,275)(H,225,270)(H,226,271)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t94?,95-,96-,97?,98-,99-,100+,104?,105?,106-,107-,108-,109?,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,136-,137-,138-,175?,176?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153499
(CHEMBL3774658)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C177H296N52O47/c1-30-33-47-106(206-155(259)115(57-63-133(236)237)214-159(263)122(74-90(10)11)223-169(273)137(94(18)19)225-156(260)116(58-64-134(238)239)213-151(255)112(53-44-70-194-175(187)188)210-158(262)120(72-88(6)7)218-160(264)121(73-89(8)9)219-163(267)126(78-105-84-190-86-196-105)221-161(265)124(76-103-45-36-35-37-46-103)224-170(274)139(101(26)230)226-166(270)123(75-91(12)13)220-165(269)128(80-136(242)243)202-102(27)231)146(250)199-98(23)143(247)203-110(51-42-68-192-173(183)184)147(251)198-96(21)141(245)197-97(22)142(246)205-117(55-61-130(180)233)167(271)228-176(28,81-92(14)15)171(275)201-100(25)145(249)204-113(54-60-129(179)232)154(258)212-114-56-62-132(235)191-67-41-39-50-109(209-162(266)125(77-104-83-189-85-195-104)216-144(248)99(24)200-148(114)252)153(257)222-127(79-131(181)234)164(268)211-111(52-43-69-193-174(185)186)150(254)207-108(49-38-40-66-178)152(256)217-119(71-87(4)5)157(261)208-107(48-34-31-2)149(253)215-118(59-65-135(240)241)168(272)229-177(29,82-93(16)17)172(276)227-138(140(182)244)95(20)32-3/h35-37,45-46,83-101,106-128,137-139,230H,30-34,38-44,47-82,178H2,1-29H3,(H2,179,232)(H2,180,233)(H2,181,234)(H2,182,244)(H,189,195)(H,190,196)(H,191,235)(H,197,245)(H,198,251)(H,199,250)(H,200,252)(H,201,275)(H,202,231)(H,203,247)(H,204,249)(H,205,246)(H,206,259)(H,207,254)(H,208,261)(H,209,266)(H,210,262)(H,211,268)(H,212,258)(H,213,255)(H,214,263)(H,215,253)(H,216,248)(H,217,256)(H,218,264)(H,219,267)(H,220,269)(H,221,265)(H,222,257)(H,223,273)(H,224,274)(H,225,260)(H,226,270)(H,227,276)(H,228,271)(H,229,272)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t95-,96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118?,119-,120-,121-,122-,123-,124+,125-,126-,127-,128-,137-,138-,139-,176?,177?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153578
(CHEMBL3775192)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CCCC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C174H292N50O49/c1-29-33-48-100(200-151(256)110(60-67-129(233)234)207-155(260)117(78-89(11)12)216-164(269)133(91(15)16)219-152(257)111(61-68-130(235)236)206-146(251)105(54-45-74-190-171(184)185)203-154(259)115(76-87(7)8)211-156(261)116(77-88(9)10)212-158(263)120(81-99-84-186-85-191-99)214-157(262)119(80-98-46-37-36-38-47-98)217-165(270)135(97(22)225)220-161(266)118(79-90(13)14)213-160(265)122(83-132(239)240)196-127(230)55-35-31-3)141(246)192-93(18)137(242)197-103(52-43-72-188-169(180)181)142(247)193-94(19)138(243)199-109(59-66-128(231)232)150(255)208-112(57-64-124(177)227)162(267)223-172(23,24)166(271)195-95(20)139(244)198-107(56-63-123(176)226)149(254)205-108-58-65-126(229)187-71-42-40-51-106(218-167(272)173(25,26)222-140(245)96(21)194-143(108)248)148(253)215-121(82-125(178)228)159(264)204-104(53-44-73-189-170(182)183)145(250)201-102(50-39-41-70-175)147(252)210-114(75-86(5)6)153(258)202-101(49-34-30-2)144(249)209-113(62-69-131(237)238)163(268)224-174(27,28)168(273)221-134(136(179)241)92(17)32-4/h36-38,46-47,84-97,100-122,133-135,225H,29-35,39-45,48-83,175H2,1-28H3,(H2,176,226)(H2,177,227)(H2,178,228)(H2,179,241)(H,186,191)(H,187,229)(H,192,246)(H,193,247)(H,194,248)(H,195,271)(H,196,230)(H,197,242)(H,198,244)(H,199,243)(H,200,256)(H,201,250)(H,202,258)(H,203,259)(H,204,264)(H,205,254)(H,206,251)(H,207,260)(H,208,255)(H,209,249)(H,210,252)(H,211,261)(H,212,263)(H,213,265)(H,214,262)(H,215,253)(H,216,269)(H,217,270)(H,218,272)(H,219,257)(H,220,266)(H,221,273)(H,222,245)(H,223,267)(H,224,268)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H4,180,181,188)(H4,182,183,189)(H4,184,185,190)/t92-,93-,94-,95-,96-,97+,100?,101?,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122-,133-,134-,135-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153482
(CHEMBL3775357)Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(CC(C)C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O Show InChI InChI=1S/C180H304N50O49/c1-32-35-49-107(206-157(262)117(60-67-135(239)240)213-161(266)124(78-92(10)11)222-170(275)139(97(20)21)225-158(263)118(61-68-136(241)242)212-152(257)112(55-46-74-196-177(190)191)209-160(265)122(76-90(6)7)217-162(267)123(77-91(8)9)218-164(269)127(81-106-87-192-88-197-106)220-163(268)126(80-105-47-38-37-39-48-105)223-171(276)141(103(27)231)226-167(272)125(79-93(12)13)219-166(271)129(83-138(245)246)202-104(28)232)147(252)198-99(23)143(248)203-110(53-44-72-194-175(186)187)148(253)199-100(24)144(249)205-116(59-66-134(237)238)156(261)214-119(57-64-131(183)234)168(273)229-178(29,84-94(14)15)172(277)201-101(25)145(250)204-114(56-63-130(182)233)155(260)211-115-58-65-133(236)193-71-43-41-52-113(224-173(278)179(30,85-95(16)17)228-146(251)102(26)200-149(115)254)154(259)221-128(82-132(184)235)165(270)210-111(54-45-73-195-176(188)189)151(256)207-109(51-40-42-70-181)153(258)216-121(75-89(4)5)159(264)208-108(50-36-33-2)150(255)215-120(62-69-137(243)244)169(274)230-180(31,86-96(18)19)174(279)227-140(142(185)247)98(22)34-3/h37-39,47-48,87-103,107-129,139-141,231H,32-36,40-46,49-86,181H2,1-31H3,(H2,182,233)(H2,183,234)(H2,184,235)(H2,185,247)(H,192,197)(H,193,236)(H,198,252)(H,199,253)(H,200,254)(H,201,277)(H,202,232)(H,203,248)(H,204,250)(H,205,249)(H,206,262)(H,207,256)(H,208,264)(H,209,265)(H,210,270)(H,211,260)(H,212,257)(H,213,266)(H,214,261)(H,215,255)(H,216,258)(H,217,267)(H,218,269)(H,219,271)(H,220,268)(H,221,259)(H,222,275)(H,223,276)(H,224,278)(H,225,263)(H,226,272)(H,227,279)(H,228,251)(H,229,273)(H,230,274)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t98?,99?,100-,101-,102-,103+,107?,108?,109-,110-,111?,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129-,139-,140-,141-,178?,179?,180?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153485
(CHEMBL3774939)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C171H286N50O49/c1-29-32-46-98(197-148(253)108(57-64-126(230)231)204-152(257)115(75-86(10)11)213-161(266)130(88(14)15)216-149(254)109(58-65-127(232)233)203-143(248)103(52-43-71-187-168(181)182)200-151(256)113(73-84(6)7)208-153(258)114(74-85(8)9)209-155(260)118(78-97-81-183-82-188-97)211-154(259)117(77-96-44-35-34-36-45-96)214-162(267)132(94(21)222)217-158(263)116(76-87(12)13)210-157(262)120(80-129(236)237)193-95(22)223)138(243)189-90(17)134(239)194-101(50-41-69-185-166(177)178)139(244)190-91(18)135(240)196-107(56-63-125(228)229)147(252)205-110(54-61-122(174)225)159(264)220-169(23,24)163(268)192-92(19)136(241)195-105(53-60-121(173)224)146(251)202-106-55-62-124(227)184-68-40-38-49-104(215-164(269)170(25,26)219-137(242)93(20)191-140(106)245)145(250)212-119(79-123(175)226)156(261)201-102(51-42-70-186-167(179)180)142(247)198-100(48-37-39-67-172)144(249)207-112(72-83(4)5)150(255)199-99(47-33-30-2)141(246)206-111(59-66-128(234)235)160(265)221-171(27,28)165(270)218-131(133(176)238)89(16)31-3/h34-36,44-45,81-94,98-120,130-132,222H,29-33,37-43,46-80,172H2,1-28H3,(H2,173,224)(H2,174,225)(H2,175,226)(H2,176,238)(H,183,188)(H,184,227)(H,189,243)(H,190,244)(H,191,245)(H,192,268)(H,193,223)(H,194,239)(H,195,241)(H,196,240)(H,197,253)(H,198,247)(H,199,255)(H,200,256)(H,201,261)(H,202,251)(H,203,248)(H,204,257)(H,205,252)(H,206,246)(H,207,249)(H,208,258)(H,209,260)(H,210,262)(H,211,259)(H,212,250)(H,213,266)(H,214,267)(H,215,269)(H,216,254)(H,217,263)(H,218,270)(H,219,242)(H,220,264)(H,221,265)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)/t89-,90-,91-,92-,93-,94+,98?,99?,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,119-,120-,130-,131-,132-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153490
(CHEMBL3774836)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C175H294N50O49/c1-31-34-48-102(201-152(257)112(59-66-130(234)235)208-156(261)119(77-88(10)11)217-165(270)134(90(14)15)220-153(258)113(60-67-131(236)237)207-147(252)107(54-45-73-191-172(185)186)204-155(260)117(75-86(6)7)212-157(262)118(76-87(8)9)213-159(264)122(80-101-83-187-84-192-101)215-158(263)121(79-100-46-37-36-38-47-100)218-166(271)136(98(25)226)221-162(267)120(78-89(12)13)214-161(266)124(82-133(240)241)197-99(26)227)142(247)193-94(21)138(243)198-105(52-43-71-189-170(181)182)143(248)194-95(22)139(244)200-111(58-65-129(232)233)151(256)209-114(56-63-126(178)229)163(268)224-174(29,91(16)17)168(273)196-96(23)140(245)199-109(55-62-125(177)228)150(255)206-110-57-64-128(231)188-70-42-40-51-108(219-167(272)173(27,28)223-141(246)97(24)195-144(110)249)149(254)216-123(81-127(179)230)160(265)205-106(53-44-72-190-171(183)184)146(251)202-104(50-39-41-69-176)148(253)211-116(74-85(4)5)154(259)203-103(49-35-32-2)145(250)210-115(61-68-132(238)239)164(269)225-175(30,92(18)19)169(274)222-135(137(180)242)93(20)33-3/h36-38,46-47,83-98,102-124,134-136,226H,31-35,39-45,48-82,176H2,1-30H3,(H2,177,228)(H2,178,229)(H2,179,230)(H2,180,242)(H,187,192)(H,188,231)(H,193,247)(H,194,248)(H,195,249)(H,196,273)(H,197,227)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,272)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,102?,103?,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122-,123-,124-,134-,135-,136-,174?,175?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 2
(Mus musculus) | BDBM50153484
(CHEMBL3775678)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C173H286N52O49/c1-27-30-44-100(201-151(257)110(55-62-129(234)235)209-155(261)117(73-87(10)11)219-165(271)133(89(14)15)221-152(258)111(56-63-130(236)237)208-146(252)106(50-41-69-190-171(183)184)205-154(260)115(71-85(6)7)214-156(262)116(72-86(8)9)215-159(265)121(77-99-81-186-83-192-99)217-157(263)119(75-97-42-33-32-34-43-97)220-166(272)135(95(21)226)222-162(268)118(74-88(12)13)216-161(267)123(79-132(240)241)197-96(22)227)141(247)193-91(17)137(243)198-104(48-39-67-188-169(179)180)142(248)194-92(18)138(244)200-109(54-61-128(232)233)150(256)210-112(52-59-125(176)229)163(269)224-172(23,24)167(273)196-94(20)140(246)199-107(51-58-124(175)228)149(255)207-108-53-60-127(231)187-66-38-36-47-103(204-158(264)120(76-98-80-185-82-191-98)212-139(245)93(19)195-143(108)249)148(254)218-122(78-126(177)230)160(266)206-105(49-40-68-189-170(181)182)145(251)202-102(46-35-37-65-174)147(253)213-114(70-84(4)5)153(259)203-101(45-31-28-2)144(250)211-113(57-64-131(238)239)164(270)225-173(25,26)168(274)223-134(136(178)242)90(16)29-3/h32-34,42-43,80-95,100-123,133-135,226H,27-31,35-41,44-79,174H2,1-26H3,(H2,175,228)(H2,176,229)(H2,177,230)(H2,178,242)(H,185,191)(H,186,192)(H,187,231)(H,193,247)(H,194,248)(H,195,249)(H,196,273)(H,197,227)(H,198,243)(H,199,246)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,264)(H,205,260)(H,206,266)(H,207,255)(H,208,252)(H,209,261)(H,210,256)(H,211,250)(H,212,245)(H,213,253)(H,214,262)(H,215,265)(H,216,267)(H,217,263)(H,218,254)(H,219,271)(H,220,272)(H,221,258)(H,222,268)(H,223,274)(H,224,269)(H,225,270)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)/t90-,91-,92-,93-,94-,95+,100?,101?,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122-,123-,133-,134-,135-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153580
(CHEMBL3775761)Show SMILES CCCCCCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C179H302N50O49/c1-29-33-36-37-38-39-43-60-132(235)201-127(88-137(244)245)165(270)218-123(84-95(13)14)166(271)225-140(102(22)230)170(275)222-124(85-103-51-41-40-42-52-103)162(267)219-125(86-104-89-191-90-196-104)163(268)217-121(82-93(9)10)161(266)216-120(81-92(7)8)159(264)208-110(59-50-79-195-176(189)190)151(256)211-116(66-73-135(240)241)157(262)224-138(96(15)16)169(274)221-122(83-94(11)12)160(265)212-115(65-72-134(238)239)156(261)205-105(53-34-30-2)146(251)197-98(18)142(247)202-108(57-48-77-193-174(185)186)147(252)198-99(19)143(248)204-114(64-71-133(236)237)155(260)213-117(62-69-129(182)232)167(272)228-177(23,24)171(276)200-100(20)144(249)203-112(61-68-128(181)231)154(259)210-113-63-70-131(234)192-76-47-45-56-111(223-172(277)178(25,26)227-145(250)101(21)199-148(113)253)153(258)220-126(87-130(183)233)164(269)209-109(58-49-78-194-175(187)188)150(255)206-107(55-44-46-75-180)152(257)215-119(80-91(5)6)158(263)207-106(54-35-31-3)149(254)214-118(67-74-136(242)243)168(273)229-179(27,28)173(278)226-139(141(184)246)97(17)32-4/h40-42,51-52,89-102,105-127,138-140,230H,29-39,43-50,53-88,180H2,1-28H3,(H2,181,231)(H2,182,232)(H2,183,233)(H2,184,246)(H,191,196)(H,192,234)(H,197,251)(H,198,252)(H,199,253)(H,200,276)(H,201,235)(H,202,247)(H,203,249)(H,204,248)(H,205,261)(H,206,255)(H,207,263)(H,208,264)(H,209,269)(H,210,259)(H,211,256)(H,212,265)(H,213,260)(H,214,254)(H,215,257)(H,216,266)(H,217,268)(H,218,270)(H,219,267)(H,220,258)(H,221,274)(H,222,275)(H,223,277)(H,224,262)(H,225,271)(H,226,278)(H,227,250)(H,228,272)(H,229,273)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H4,185,186,193)(H4,187,188,194)(H4,189,190,195)/t97-,98-,99-,100-,101-,102+,105?,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,125-,126-,127-,138-,139-,140-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50153490
(CHEMBL3774836)Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C175H294N50O49/c1-31-34-48-102(201-152(257)112(59-66-130(234)235)208-156(261)119(77-88(10)11)217-165(270)134(90(14)15)220-153(258)113(60-67-131(236)237)207-147(252)107(54-45-73-191-172(185)186)204-155(260)117(75-86(6)7)212-157(262)118(76-87(8)9)213-159(264)122(80-101-83-187-84-192-101)215-158(263)121(79-100-46-37-36-38-47-100)218-166(271)136(98(25)226)221-162(267)120(78-89(12)13)214-161(266)124(82-133(240)241)197-99(26)227)142(247)193-94(21)138(243)198-105(52-43-71-189-170(181)182)143(248)194-95(22)139(244)200-111(58-65-129(232)233)151(256)209-114(56-63-126(178)229)163(268)224-174(29,91(16)17)168(273)196-96(23)140(245)199-109(55-62-125(177)228)150(255)206-110-57-64-128(231)188-70-42-40-51-108(219-167(272)173(27,28)223-141(246)97(24)195-144(110)249)149(254)216-123(81-127(179)230)160(265)205-106(53-44-72-190-171(183)184)146(251)202-104(50-39-41-69-176)148(253)211-116(74-85(4)5)154(259)203-103(49-35-32-2)145(250)210-115(61-68-132(238)239)164(269)225-175(30,92(18)19)169(274)222-135(137(180)242)93(20)33-3/h36-38,46-47,83-98,102-124,134-136,226H,31-35,39-45,48-82,176H2,1-30H3,(H2,177,228)(H2,178,229)(H2,179,230)(H2,180,242)(H,187,192)(H,188,231)(H,193,247)(H,194,248)(H,195,249)(H,196,273)(H,197,227)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,272)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,102?,103?,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122-,123-,124-,134-,135-,136-,174?,175?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay |
J Med Chem 59: 854-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH |
More data for this
Ligand-Target Pair | |
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