BDBM316359 US9617226, Example 40::cis-2-[2-(3-Chlorophenyl)-6-[3-[(3-hydroxyazetidin-1-yl)methyl]cyclobutyl]-4-oxo-quinazolin-3-yl]-N-isopropyl-acetamide

SMILES: CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CC(O)C2)C1)-c1cccc(Cl)c1

InChI Key: InChIKey=MZEADENPZBIVFE-MSEWRSJXSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 316359   

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))	BDBM316359 (US9617226, Example 40 | cis-2-[2-(3-Chlorophenyl)-...) Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CC(O)C2)C1)-c1cccc(Cl)c1 |r,wD:18.19,20.22,(,-7.7,;-1.33,-6.93,;-2.67,-7.7,;-1.33,-5.39,;,-4.62,;1.33,-5.39,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;8,-3.08,;9.49,-2.68,;9.89,-4.17,;11.22,-4.94,;11.22,-6.48,;12.31,-7.57,;11.22,-8.66,;11.22,-10.2,;10.13,-7.57,;8.4,-4.57,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,)| Show InChI InChI=1S/C27H31ClN4O3/c1-16(2)29-25(34)15-32-26(19-4-3-5-21(28)10-19)30-24-7-6-18(11-23(24)27(32)35)20-8-17(9-20)12-31-13-22(33)14-31/h3-7,10-11,16-17,20,22,33H,8-9,12-15H2,1-2H3,(H,29,34)/t17-,20+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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