Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50044756'   

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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50044756 (CHEMBL3353953) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C48H69N11O12S2/c1-5-28(4)42-47(70)55-32(15-16-37(49)61)44(67)56-35(23-38(50)62)45(68)57-36(26-73-72-20-18-40(64)53-34(46(69)58-42)22-30-11-13-31(60)14-12-30)48(71)59(19-17-29-9-7-6-8-10-29)25-41(65)54-33(21-27(2)3)43(66)52-24-39(51)63/h6-14,27-28,32-36,42,60H,5,15-26H2,1-4H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t28-,32-,33-,34-,35-,36-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay				J Med Chem 57: 5306-17 (2014) Article DOI: 10.1021/jm500365s BindingDB Entry DOI: 10.7270/Q2WD426V
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50044756 (CHEMBL3353953) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C48H69N11O12S2/c1-5-28(4)42-47(70)55-32(15-16-37(49)61)44(67)56-35(23-38(50)62)45(68)57-36(26-73-72-20-18-40(64)53-34(46(69)58-42)22-30-11-13-31(60)14-12-30)48(71)59(19-17-29-9-7-6-8-10-29)25-41(65)54-33(21-27(2)3)43(66)52-24-39(51)63/h6-14,27-28,32-36,42,60H,5,15-26H2,1-4H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t28-,32-,33-,34-,35-,36-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay				J Med Chem 57: 5306-17 (2014) Article DOI: 10.1021/jm500365s BindingDB Entry DOI: 10.7270/Q2WD426V
					More data for this Ligand-Target Pair