Found 2 hits Enz. Inhib. hit(s) with Target = 'Relaxin-3 receptor 2' and Ligand = 'BDBM50534450' 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 2
(Homo sapiens (Human)) | BDBM50534450
(CHEMBL4573196)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)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| Show InChI InChI=1S/C96H149N29O26/c1-9-51(5)76(123-86(143)65(40-55-24-13-11-14-25-55)118-84(141)64(34-35-74(134)135)116-81(138)60(31-21-37-104-94(98)99)112-73(133)46-110-79(136)68(47-126)111-54(8)130)90(147)117-63(33-23-39-106-96(102)103)82(139)114-61(30-19-20-36-97)85(142)122-75(50(3)4)89(146)124-77(52(6)10-2)91(148)119-66(41-56-26-15-12-16-27-56)87(144)125-78(53(7)129)92(149)121-69(48-127)80(137)109-44-71(131)108-45-72(132)113-70(49-128)88(145)115-62(32-22-38-105-95(100)101)83(140)120-67(93(150)151)42-57-43-107-59-29-18-17-28-58(57)59/h11-18,24-29,43,50-53,60-70,75-78,107,126-129H,9-10,19-23,30-42,44-49,97H2,1-8H3,(H,108,131)(H,109,137)(H,110,136)(H,111,130)(H,112,133)(H,113,132)(H,114,139)(H,115,145)(H,116,138)(H,117,147)(H,118,141)(H,119,148)(H,120,140)(H,121,149)(H,122,142)(H,123,143)(H,124,146)(H,125,144)(H,134,135)(H,150,151)(H4,98,99,104)(H4,100,101,105)(H4,102,103,106)/t51-,52-,53+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-,76-,77-,78-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| <1.00E+4 | 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-INSL5 from human RXFP4 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 2
(Homo sapiens (Human)) | BDBM50534450
(CHEMBL4573196)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)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| Show InChI InChI=1S/C96H149N29O26/c1-9-51(5)76(123-86(143)65(40-55-24-13-11-14-25-55)118-84(141)64(34-35-74(134)135)116-81(138)60(31-21-37-104-94(98)99)112-73(133)46-110-79(136)68(47-126)111-54(8)130)90(147)117-63(33-23-39-106-96(102)103)82(139)114-61(30-19-20-36-97)85(142)122-75(50(3)4)89(146)124-77(52(6)10-2)91(148)119-66(41-56-26-15-12-16-27-56)87(144)125-78(53(7)129)92(149)121-69(48-127)80(137)109-44-71(131)108-45-72(132)113-70(49-128)88(145)115-62(32-22-38-105-95(100)101)83(140)120-67(93(150)151)42-57-43-107-59-29-18-17-28-58(57)59/h11-18,24-29,43,50-53,60-70,75-78,107,126-129H,9-10,19-23,30-42,44-49,97H2,1-8H3,(H,108,131)(H,109,137)(H,110,136)(H,111,130)(H,112,133)(H,113,132)(H,114,139)(H,115,145)(H,116,138)(H,117,147)(H,118,141)(H,119,148)(H,120,140)(H,121,149)(H,122,142)(H,123,143)(H,124,146)(H,125,144)(H,134,135)(H,150,151)(H4,98,99,104)(H4,100,101,105)(H4,102,103,106)/t51-,52-,53+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-,76-,77-,78-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 5.89E+3 | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description Agonist activity at human RXFP4 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 | |