Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM50525074'   

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 V2 receptor (Homo sapiens (Human))	BDBM50525074 (CHEMBL4555263) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C50H68N12O10S2/c1-29(2)42-48(71)59-37(26-40(51)64)45(68)60-38(49(72)62-21-7-14-39(62)47(70)57-34(13-6-20-54-50(52)53)43(66)55-27-31-10-4-3-5-11-31)28-73-22-9-15-41(65)56-35(24-30-16-18-32(63)19-17-30)44(67)58-36(46(69)61-42)25-33-12-8-23-74-33/h3-5,8,10-12,16-19,23,29,34-39,42,63H,6-7,9,13-15,20-22,24-28H2,1-2H3,(H2,51,64)(H,55,66)(H,56,65)(H,57,70)(H,58,67)(H,59,71)(H,60,68)(H,61,69)(H4,52,53,54)/t34-,35+,36+,37+,38+,39+,42+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.260	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...				J Med Chem 62: 4991-5005 (2019) Article DOI: 10.1021/acs.jmedchem.9b00132 BindingDB Entry DOI: 10.7270/Q2PG1W51
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