Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50065110'   

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))	BDBM50065110 (CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity to human V1a receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50065110 (CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from vasopressin receptor (V1a) from human platelet membranes.				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50065110 (CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.				Bioorg Med Chem Lett 13: 2195-8 (2003) BindingDB Entry DOI: 10.7270/Q2SF2VJH
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50065110 (CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity for rat V1a receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50065110 (CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair