Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50469544'   

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))	BDBM50469544 (CHEMBL4281963) Show SMILES COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)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)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1 |r| Show InChI InChI=1S/C54H76N16O12/c1-82-35-20-15-33(16-21-35)29-39(64-45(74)24-17-31-13-18-34(71)19-14-31)48(77)68-40(28-32-8-3-2-4-9-32)49(78)66-37(22-23-43(55)72)47(76)69-41(30-44(56)73)50(79)67-38(11-6-26-63-54(60)61)52(81)70-27-7-12-42(70)51(80)65-36(46(57)75)10-5-25-62-53(58)59/h2-4,8-9,13-16,18-21,36-42,71H,5-7,10-12,17,22-30H2,1H3,(H2,55,72)(H2,56,73)(H2,57,75)(H,64,74)(H,65,80)(H,66,78)(H,67,79)(H,68,77)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Displacement of [Se-Se]-AVP from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis				J Med Chem 61: 10173-10184 (2018) Article DOI: 10.1021/acs.jmedchem.8b01320 BindingDB Entry DOI: 10.7270/Q2J105V6
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50469544 (CHEMBL4281963) Show SMILES COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)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)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1 |r| Show InChI InChI=1S/C54H76N16O12/c1-82-35-20-15-33(16-21-35)29-39(64-45(74)24-17-31-13-18-34(71)19-14-31)48(77)68-40(28-32-8-3-2-4-9-32)49(78)66-37(22-23-43(55)72)47(76)69-41(30-44(56)73)50(79)67-38(11-6-26-63-54(60)61)52(81)70-27-7-12-42(70)51(80)65-36(46(57)75)10-5-25-62-53(58)59/h2-4,8-9,13-16,18-21,36-42,71H,5-7,10-12,17,22-30H2,1H3,(H2,55,72)(H2,56,73)(H2,57,75)(H,64,74)(H,65,80)(H,66,78)(H,67,79)(H,68,77)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by gamma counter analysis				J Med Chem 61: 10173-10184 (2018) Article DOI: 10.1021/acs.jmedchem.8b01320 BindingDB Entry DOI: 10.7270/Q2J105V6
					More data for this Ligand-Target Pair