Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50320472'   

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
Urotensin-2 receptor (RAT)	BDBM50320472 ((3S,6S,9S,15S)-3-((4R,7S,10S,13S,16S,19R)-13-((1H-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C66H86N14O16S2/c1-34(2)54(66(95)96)80-64(93)51-33-98-97-32-50(77-62(91)49(29-53(83)84)73-57(86)36(4)71-65(94)55(37(5)81)79-52(82)31-70-56(85)35(3)68)63(92)75-46(26-38-15-7-6-8-16-38)59(88)76-48(28-42-30-69-44-20-12-11-19-43(42)44)61(90)72-45(21-13-14-24-67)58(87)74-47(60(89)78-51)27-39-22-23-40-17-9-10-18-41(40)25-39/h6-12,15-20,22-23,25,30,34-37,45-51,54-55,69,81H,13-14,21,24,26-29,31-33,67-68H2,1-5H3,(H,70,85)(H,71,94)(H,72,90)(H,73,86)(H,74,87)(H,75,92)(H,76,88)(H,77,91)(H,78,89)(H,79,82)(H,80,93)(H,83,84)(H,95,96)/t35-,36-,37+,45-,46-,47-,48-,49-,50-,51-,54-,55-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]U2 from rat urotensin 2 receptor expressed in CHO cells				J Med Chem 53: 2695-708 (2010) Article DOI: 10.1021/jm901294u BindingDB Entry DOI: 10.7270/Q20G3K9N
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50320472 ((3S,6S,9S,15S)-3-((4R,7S,10S,13S,16S,19R)-13-((1H-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C66H86N14O16S2/c1-34(2)54(66(95)96)80-64(93)51-33-98-97-32-50(77-62(91)49(29-53(83)84)73-57(86)36(4)71-65(94)55(37(5)81)79-52(82)31-70-56(85)35(3)68)63(92)75-46(26-38-15-7-6-8-16-38)59(88)76-48(28-42-30-69-44-20-12-11-19-43(42)44)61(90)72-45(21-13-14-24-67)58(87)74-47(60(89)78-51)27-39-22-23-40-17-9-10-18-41(40)25-39/h6-12,15-20,22-23,25,30,34-37,45-51,54-55,69,81H,13-14,21,24,26-29,31-33,67-68H2,1-5H3,(H,70,85)(H,71,94)(H,72,90)(H,73,86)(H,74,87)(H,75,92)(H,76,88)(H,77,91)(H,78,89)(H,79,82)(H,80,93)(H,83,84)(H,95,96)/t35-,36-,37+,45-,46-,47-,48-,49-,50-,51-,54-,55-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.340	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization by FLIPR				J Med Chem 53: 2695-708 (2010) Article DOI: 10.1021/jm901294u BindingDB Entry DOI: 10.7270/Q20G3K9N
					More data for this Ligand-Target Pair