BindingDB logo
myBDB logout

BDBM316323 US9617226, Example 2b::trans-2-[2-(3-chlorophenyl)-4-oxo-6-[3-(1-piperidylmethyl)cyclobutyl]quinazolin-3-yl]-N-isopropyl-acetamide

SMILES: CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@H]1C[C@H](CN2CCCCC2)C1)-c1cccc(Cl)c1

InChI Key: InChIKey=XVCWIOSAGJZKLA-JKIUYZKVSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 316323   
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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM316323
PNG
(US9617226, Example 2b | trans-2-[2-(3-chlorophenyl...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@H]1C[C@H](CN2CCCCC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H35ClN4O2/c1-19(2)31-27(35)18-34-28(22-7-6-8-24(30)15-22)32-26-10-9-21(16-25(26)29(34)36)23-13-20(14-23)17-33-11-4-3-5-12-33/h6-10,15-16,19-20,23H,3-5,11-14,17-18H2,1-2H3,(H,31,35)/t20-,23-
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
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