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SMILES: OC(=O)CCC(=O)NN1C(Nc2ccccc2C1=O)c1ccc(F)cc1

InChI Key: InChIKey=JWLAIIWAJIOGBS-UHFFFAOYSA-N

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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 = 100081   
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))		BDBM100081
PNG
(4-[[2-(4-fluorophenyl)-4-keto-1,2-dihydroquinazoli...)
Show SMILES OC(=O)CCC(=O)NN1C(Nc2ccccc2C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN3O4/c19-12-7-5-11(6-8-12)17-20-14-4-2-1-3-13(14)18(26)22(17)21-15(23)9-10-16(24)25/h1-8,17,20H,9-10H2,(H,21,23)(H,24,25)
PDB
MMDB

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PC cid
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n/an/an/an/a>286n/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