Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Relaxin-3 receptor 2' and Ligand = 'BDBM50534441'   

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))	BDBM50534441 (CHEMBL4555053) 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](C)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/C93H142N28O26/c1-10-48(5)73(119-83(139)62(37-53-23-14-12-15-24-53)114-82(138)61(32-33-71(130)131)112-80(136)58(29-20-34-100-91(94)95)109-70(129)43-106-77(133)65(44-122)108-52(9)126)87(143)113-59(30-21-35-101-92(96)97)79(135)107-50(7)76(132)118-72(47(3)4)86(142)120-74(49(6)11-2)88(144)115-63(38-54-25-16-13-17-26-54)84(140)121-75(51(8)125)89(145)117-66(45-123)78(134)105-41-68(127)104-42-69(128)110-67(46-124)85(141)111-60(31-22-36-102-93(98)99)81(137)116-64(90(146)147)39-55-40-103-57-28-19-18-27-56(55)57/h12-19,23-28,40,47-51,58-67,72-75,103,122-125H,10-11,20-22,29-39,41-46H2,1-9H3,(H,104,127)(H,105,134)(H,106,133)(H,107,135)(H,108,126)(H,109,129)(H,110,128)(H,111,141)(H,112,136)(H,113,143)(H,114,138)(H,115,144)(H,116,137)(H,117,145)(H,118,132)(H,119,139)(H,120,142)(H,121,140)(H,130,131)(H,146,147)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t48-,49-,50-,51+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-,75-/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))	BDBM50534441 (CHEMBL4555053) 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](C)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/C93H142N28O26/c1-10-48(5)73(119-83(139)62(37-53-23-14-12-15-24-53)114-82(138)61(32-33-71(130)131)112-80(136)58(29-20-34-100-91(94)95)109-70(129)43-106-77(133)65(44-122)108-52(9)126)87(143)113-59(30-21-35-101-92(96)97)79(135)107-50(7)76(132)118-72(47(3)4)86(142)120-74(49(6)11-2)88(144)115-63(38-54-25-16-13-17-26-54)84(140)121-75(51(8)125)89(145)117-66(45-123)78(134)105-41-68(127)104-42-69(128)110-67(46-124)85(141)111-60(31-22-36-102-93(98)99)81(137)116-64(90(146)147)39-55-40-103-57-28-19-18-27-56(55)57/h12-19,23-28,40,47-51,58-67,72-75,103,122-125H,10-11,20-22,29-39,41-46H2,1-9H3,(H,104,127)(H,105,134)(H,106,133)(H,107,135)(H,108,126)(H,109,129)(H,110,128)(H,111,141)(H,112,136)(H,113,143)(H,114,138)(H,115,144)(H,116,137)(H,117,145)(H,118,132)(H,119,139)(H,120,142)(H,121,140)(H,130,131)(H,146,147)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t48-,49-,50-,51+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-,75-/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	2.69E+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