null

SMILES: CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCCC2)C1)-c1cccc(Cl)c1

InChI Key: InChIKey=DGTLPNMVBVPZLH-PEPAQOBHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 316340   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM316340 ( cis-2-[6-[3-(Azepan-1-ylmethyl)cyclobutyl]-2-(3-c...) Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCCC2)C1)-c1cccc(Cl)c1 |r,wU:20.22,18.19,(8,4.62,;9.34,3.85,;10.67,4.62,;9.34,2.31,;8,1.54,;6.67,2.31,;8,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;;-.4,1.49,;-1.89,1.09,;-3.22,1.86,;-4.55,1.09,;-4.44,-.45,;-5.57,-1.49,;-7.09,-1.26,;-7.86,.07,;-7.3,1.5,;-5.83,1.96,;-1.49,-.4,;8,-3.08,;8,-4.62,;9.34,-5.39,;10.67,-4.62,;10.67,-3.08,;12,-2.31,;9.34,-2.31,)| Show InChI InChI=1S/C30H37ClN4O2/c1-20(2)32-28(36)19-35-29(23-8-7-9-25(31)16-23)33-27-11-10-22(17-26(27)30(35)37)24-14-21(15-24)18-34-12-5-3-4-6-13-34/h7-11,16-17,20-21,24H,3-6,12-15,18-19H2,1-2H3,(H,32,36)/t21-,24+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG US Patent					Assay Description The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...				US Patent US9617226 (2017) BindingDB Entry DOI: 10.7270/Q2639RTS
					More data for this Ligand-Target Pair