Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Relaxin-3 receptor 2' and Ligand = 'BDBM50534452'   

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))	BDBM50534452 (CHEMBL4474183) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC1=O)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)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 |r,c:28| Show InChI InChI=1S/C95H142N28O26/c1-51(2)74-87(145)123-95(7,90(149)119-64(41-55-25-14-12-15-26-55)83(141)121-75(53(4)127)86(144)117-68(49-125)78(136)107-45-70(129)106-46-71(130)112-69(50-126)84(142)113-61(32-23-39-103-92(98)99)81(139)116-66(88(146)147)43-57-44-105-59-30-19-18-29-58(57)59)37-21-11-9-8-10-20-36-94(6,89(148)118-62(33-24-40-104-93(100)101)79(137)109-52(3)76(134)120-74)122-85(143)65(42-56-27-16-13-17-28-56)115-82(140)63(34-35-73(132)133)114-80(138)60(31-22-38-102-91(96)97)111-72(131)47-108-77(135)67(48-124)110-54(5)128/h8-9,12-19,25-30,44,51-53,60-69,74-75,105,124-127H,10-11,20-24,31-43,45-50H2,1-7H3,(H,106,129)(H,107,136)(H,108,135)(H,109,137)(H,110,128)(H,111,131)(H,112,130)(H,113,142)(H,114,138)(H,115,140)(H,116,139)(H,117,144)(H,118,148)(H,119,149)(H,120,134)(H,121,141)(H,122,143)(H,123,145)(H,132,133)(H,146,147)(H4,96,97,102)(H4,98,99,103)(H4,100,101,104)/b9-8-/t52-,53+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-,94-,95-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+3	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))	BDBM50534452 (CHEMBL4474183) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC1=O)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)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 |r,c:28| Show InChI InChI=1S/C95H142N28O26/c1-51(2)74-87(145)123-95(7,90(149)119-64(41-55-25-14-12-15-26-55)83(141)121-75(53(4)127)86(144)117-68(49-125)78(136)107-45-70(129)106-46-71(130)112-69(50-126)84(142)113-61(32-23-39-103-92(98)99)81(139)116-66(88(146)147)43-57-44-105-59-30-19-18-29-58(57)59)37-21-11-9-8-10-20-36-94(6,89(148)118-62(33-24-40-104-93(100)101)79(137)109-52(3)76(134)120-74)122-85(143)65(42-56-27-16-13-17-28-56)115-82(140)63(34-35-73(132)133)114-80(138)60(31-22-38-102-91(96)97)111-72(131)47-108-77(135)67(48-124)110-54(5)128/h8-9,12-19,25-30,44,51-53,60-69,74-75,105,124-127H,10-11,20-24,31-43,45-50H2,1-7H3,(H,106,129)(H,107,136)(H,108,135)(H,109,137)(H,110,128)(H,111,131)(H,112,130)(H,113,142)(H,114,138)(H,115,140)(H,116,139)(H,117,144)(H,118,148)(H,119,149)(H,120,134)(H,121,141)(H,122,143)(H,123,145)(H,132,133)(H,146,147)(H4,96,97,102)(H4,98,99,103)(H4,100,101,104)/b9-8-/t52-,53+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-,94-,95-/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	501	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