Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50075721'   

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))	BDBM50075721 ((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
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