Found 2 hits Enz. Inhib. hit(s) with Target = 'Relaxin-3 receptor 1' and Ligand = 'BDBM50534442' 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 |
|---|
Relaxin-3 receptor 1
(Homo sapiens (Human)) | BDBM50534442
(CHEMBL4438620)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,t:17| Show InChI InChI=1S/C111H175N33O26/c1-13-62(7)86-100(164)132-74(42-32-48-123-109(118)119)98(162)144-111(12,44-28-18-16-15-17-27-43-110(11,104(169)138-77(95(159)139-86)51-67-35-23-20-24-36-67)143-97(161)73(41-31-47-122-108(116)117)129-84(152)56-127-89(153)79(57-145)136-93(157)75(49-60(3)4)133-91(155)71(128-65(10)149)39-29-45-120-106(112)113)105(170)142-85(61(5)6)99(163)140-87(63(8)14-2)101(165)134-76(50-66-33-21-19-22-34-66)94(158)141-88(64(9)148)102(166)137-80(58-146)90(154)126-54-82(150)125-55-83(151)130-81(59-147)96(160)131-72(40-30-46-121-107(114)115)92(156)135-78(103(167)168)52-68-53-124-70-38-26-25-37-69(68)70/h15-16,19-26,33-38,53,60-64,71-81,85-88,124,145-148H,13-14,17-18,27-32,39-52,54-59H2,1-12H3,(H,125,150)(H,126,154)(H,127,153)(H,128,149)(H,129,152)(H,130,151)(H,131,160)(H,132,164)(H,133,155)(H,134,165)(H,135,156)(H,136,157)(H,137,166)(H,138,169)(H,139,159)(H,140,163)(H,141,158)(H,142,170)(H,143,161)(H,144,162)(H,167,168)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/b16-15+/t62-,63-,64+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,85-,86-,87-,88-,110-,111-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Displacement of Eu-H3/15 from human RXFP3 receptor expressed in CHOK1 cells by time-resolved fluorescent whole cell binding assay |
J Med Chem 59: 7445-56 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00265
BindingDB Entry DOI: 10.7270/Q2CZ3BNG |
More data for this
Ligand-Target Pair | |
Relaxin-3 receptor 1
(Homo sapiens (Human)) | BDBM50534442
(CHEMBL4438620)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,t:17| Show InChI InChI=1S/C111H175N33O26/c1-13-62(7)86-100(164)132-74(42-32-48-123-109(118)119)98(162)144-111(12,44-28-18-16-15-17-27-43-110(11,104(169)138-77(95(159)139-86)51-67-35-23-20-24-36-67)143-97(161)73(41-31-47-122-108(116)117)129-84(152)56-127-89(153)79(57-145)136-93(157)75(49-60(3)4)133-91(155)71(128-65(10)149)39-29-45-120-106(112)113)105(170)142-85(61(5)6)99(163)140-87(63(8)14-2)101(165)134-76(50-66-33-21-19-22-34-66)94(158)141-88(64(9)148)102(166)137-80(58-146)90(154)126-54-82(150)125-55-83(151)130-81(59-147)96(160)131-72(40-30-46-121-107(114)115)92(156)135-78(103(167)168)52-68-53-124-70-38-26-25-37-69(68)70/h15-16,19-26,33-38,53,60-64,71-81,85-88,124,145-148H,13-14,17-18,27-32,39-52,54-59H2,1-12H3,(H,125,150)(H,126,154)(H,127,153)(H,128,149)(H,129,152)(H,130,151)(H,131,160)(H,132,164)(H,133,155)(H,134,165)(H,135,156)(H,136,157)(H,137,166)(H,138,169)(H,139,159)(H,140,163)(H,141,158)(H,142,170)(H,143,161)(H,144,162)(H,167,168)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/b16-15+/t62-,63-,64+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,85-,86-,87-,88-,110-,111-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.20 | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Agonist activity at human RXFP3 receptor expressed in CHOK1 cells cotransfected with beta-galactosidase assessed as inhibition of forskolin-stimulate... |
J Med Chem 59: 7445-56 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00265
BindingDB Entry DOI: 10.7270/Q2CZ3BNG |
More data for this
Ligand-Target Pair | |
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