Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50225166'   

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))	BDBM50225166 ((4R)-1-({4-[(2-chloro-5-fluorobenzene)amido]-3-eth...) Show SMILES CCOc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C(O)=O)Cc2ccccc12 |c:30| Show InChI InChI=1S/C31H28ClFN2O5/c1-2-40-27-15-19(7-10-25(27)34-28(36)23-16-22(33)8-9-24(23)32)29(37)35-14-13-31(12-11-21(18-31)30(38)39)17-20-5-3-4-6-26(20)35/h3-10,15-16,18H,2,11-14,17H2,1H3,(H,34,36)(H,38,39)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6623-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.059 BindingDB Entry DOI: 10.7270/Q2T72H5P
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50225166 ((4R)-1-({4-[(2-chloro-5-fluorobenzene)amido]-3-eth...) Show SMILES CCOc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C(O)=O)Cc2ccccc12 |c:30| Show InChI InChI=1S/C31H28ClFN2O5/c1-2-40-27-15-19(7-10-25(27)34-28(36)23-16-22(33)8-9-24(23)32)29(37)35-14-13-31(12-11-21(18-31)30(38)39)17-20-5-3-4-6-26(20)35/h3-10,15-16,18H,2,11-14,17H2,1H3,(H,34,36)(H,38,39)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin V1a receptor expressed in HEK293 cells assessed as inhibition of Arg-vasopressin-induced intracllular calciu...				Bioorg Med Chem Lett 17: 6623-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.059 BindingDB Entry DOI: 10.7270/Q2T72H5P
					More data for this Ligand-Target Pair