BindingDB logo
myBDB logout

null

SMILES: COc1ccc(\C=C(\CC(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3s2)cc1

InChI Key: InChIKey=GNHKSCNHURGTJZ-RGEXLXHISA-N

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 = 100052   
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))		BDBM100052
PNG
((Z)-3-(1,3-benzothiazol-2-yl)-N-(4-chlorobenzyl)-4...)
Show SMILES COc1ccc(\C=C(\CC(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C25H21ClN2O2S/c1-30-21-12-8-17(9-13-21)14-19(25-28-22-4-2-3-5-23(22)31-25)15-24(29)27-16-18-6-10-20(26)11-7-18/h2-14H,15-16H2,1H3,(H,27,29)/b19-14-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.56E+3n/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