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BDBM100027 MLS000111994::N-[4-(3-cyclohexyl-4-keto-1,2-dihydroquinazolin-2-yl)phenyl]acetamide::N-[4-(3-cyclohexyl-4-oxidanylidene-1,2-dihydroquinazolin-2-yl)phenyl]ethanamide::N-[4-(3-cyclohexyl-4-oxo-1,2-dihydroquinazolin-2-yl)phenyl]acetamide::SMR000107912::cid_2920453

SMILES: CC(=O)Nc1ccc(cc1)C1Nc2ccccc2C(=O)N1C1CCCCC1

InChI Key: InChIKey=PJKYIDMIQHJUAB-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100027   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Kallikrein 7


(Homo sapiens (Human))
BDBM100027
PNG
(MLS000111994 | N-[4-(3-cyclohexyl-4-keto-1,2-dihyd...)
Show SMILES CC(=O)Nc1ccc(cc1)C1Nc2ccccc2C(=O)N1C1CCCCC1
Show InChI InChI=1S/C22H25N3O2/c1-15(26)23-17-13-11-16(12-14-17)21-24-20-10-6-5-9-19(20)22(27)25(21)18-7-3-2-4-8-18/h5-6,9-14,18,21,24H,2-4,7-8H2,1H3,(H,23,26)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair