Found 2 hits Enz. Inhib. hit(s) with Target = 'Relaxin-3 receptor 1' and Ligand = 'BDBM50534454' 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)) | BDBM50534454
(CHEMBL4540069)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](N)CCCNC(N)=N)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/C109H173N33O25/c1-12-61(7)84-98(161)130-72(41-31-47-122-107(117)118)96(159)142-109(11,43-27-17-15-14-16-26-42-108(10,102(166)136-75(93(156)137-84)50-65-34-22-19-23-35-65)141-95(158)71(40-30-46-121-106(115)116)127-82(149)55-126-88(151)77(56-143)134-91(154)73(48-59(3)4)131-87(150)68(110)37-28-44-119-104(111)112)103(167)140-83(60(5)6)97(160)138-85(62(8)13-2)99(162)132-74(49-64-32-20-18-21-33-64)92(155)139-86(63(9)146)100(163)135-78(57-144)89(152)125-53-80(147)124-54-81(148)128-79(58-145)94(157)129-70(39-29-45-120-105(113)114)90(153)133-76(101(164)165)51-66-52-123-69-38-25-24-36-67(66)69/h14-15,18-25,32-36,38,52,59-63,68,70-79,83-86,123,143-146H,12-13,16-17,26-31,37,39-51,53-58,110H2,1-11H3,(H,124,147)(H,125,152)(H,126,151)(H,127,149)(H,128,148)(H,129,157)(H,130,161)(H,131,150)(H,132,162)(H,133,153)(H,134,154)(H,135,163)(H,136,166)(H,137,156)(H,138,160)(H,139,155)(H,140,167)(H,141,158)(H,142,159)(H,164,165)(H4,111,112,119)(H4,113,114,120)(H4,115,116,121)(H4,117,118,122)/b15-14+/t61-,62-,63+,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,83-,84-,85-,86-,108-,109-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 110 | 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)) | BDBM50534454
(CHEMBL4540069)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](N)CCCNC(N)=N)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/C109H173N33O25/c1-12-61(7)84-98(161)130-72(41-31-47-122-107(117)118)96(159)142-109(11,43-27-17-15-14-16-26-42-108(10,102(166)136-75(93(156)137-84)50-65-34-22-19-23-35-65)141-95(158)71(40-30-46-121-106(115)116)127-82(149)55-126-88(151)77(56-143)134-91(154)73(48-59(3)4)131-87(150)68(110)37-28-44-119-104(111)112)103(167)140-83(60(5)6)97(160)138-85(62(8)13-2)99(162)132-74(49-64-32-20-18-21-33-64)92(155)139-86(63(9)146)100(163)135-78(57-144)89(152)125-53-80(147)124-54-81(148)128-79(58-145)94(157)129-70(39-29-45-120-105(113)114)90(153)133-76(101(164)165)51-66-52-123-69-38-25-24-36-67(66)69/h14-15,18-25,32-36,38,52,59-63,68,70-79,83-86,123,143-146H,12-13,16-17,26-31,37,39-51,53-58,110H2,1-11H3,(H,124,147)(H,125,152)(H,126,151)(H,127,149)(H,128,148)(H,129,157)(H,130,161)(H,131,150)(H,132,162)(H,133,153)(H,134,154)(H,135,163)(H,136,166)(H,137,156)(H,138,160)(H,139,155)(H,140,167)(H,141,158)(H,142,159)(H,164,165)(H4,111,112,119)(H4,113,114,120)(H4,115,116,121)(H4,117,118,122)/b15-14+/t61-,62-,63+,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,83-,84-,85-,86-,108-,109-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.5 | 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 | |
Search and Browse
