Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50166219'   

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))	BDBM50166219 (CHEMBL264101 | Vasopressin Analogue) Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)Cc1ccccc1)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(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O Show InChI InChI=1S/C68H84IN17O13/c69-45-33-42(24-28-54(45)87)36-49(59(72)92)83-60(93)46(19-10-30-77-67(73)74)81-65(98)53-21-12-32-86(53)66(99)48(20-11-31-78-68(75)76)82-64(97)52(38-56(71)89)85-61(94)47(27-29-55(70)88)80-63(96)51(34-39-13-4-1-5-14-39)84-62(95)50(79-57(90)37-40-15-6-2-7-16-40)35-41-22-25-44(26-23-41)58(91)43-17-8-3-9-18-43/h1-9,13-18,22-26,28,33,46-53,87H,10-12,19-21,27,29-32,34-38H2,(H2,70,88)(H2,71,89)(H2,72,92)(H,79,90)(H,80,96)(H,81,98)(H,82,97)(H,83,93)(H,84,95)(H,85,94)(H4,73,74,77)(H4,75,76,78)/t46-,47-,48-,49-,50+,51-,52-,53+/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 Binding affinity against human vasopressin V1a receptor expressed in CHO cells				J Med Chem 48: 3379-88 (2005) Article DOI: 10.1021/jm040871+ BindingDB Entry DOI: 10.7270/Q2SJ1MDG
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