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BDBM316346 US9617226, Example 27::cis-2-[2-(3-Chlorophenyl)-4-oxo-6-[3-(1-piperidylmethyl)cyclobutyl]quinazolin-3-yl]-N-cyclopropyl-acetamide

SMILES: Clc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC1CC1)[C@@H]1C[C@H](CN2CCCCC2)C1

InChI Key: InChIKey=ASYHRLGDSGRYFI-IQGASKDCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 316346   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
h-v1b


(Homo sapiens (Human))
BDBM316346
PNG
(US9617226, Example 27 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES Clc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC1CC1)[C@@H]1C[C@H](CN2CCCCC2)C1
Show InChI InChI=1S/C29H33ClN4O2/c30-23-6-4-5-21(15-23)28-32-26-10-7-20(22-13-19(14-22)17-33-11-2-1-3-12-33)16-25(26)29(36)34(28)18-27(35)31-24-8-9-24/h4-7,10,15-16,19,22,24H,1-3,8-9,11-14,17-18H2,(H,31,35)/t19-,22+
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US Patent
55n/an/an/an/an/an/an/an/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