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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kallikrein-6' and Ligand = 'BDBM50459543'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kallikrein-6


(Homo sapiens (Human))		BDBM50459543
PNG
(CHEMBL4203033)
Show SMILES CN(C(=O)CNC(=O)Cc1c(C)[nH]c2cccnc12)c1c(C)nn(c1C)-c1ccccc1
Show InChI InChI=1S/C24H26N6O2/c1-15-19(23-20(27-15)11-8-12-25-23)13-21(31)26-14-22(32)29(4)24-16(2)28-30(17(24)3)18-9-6-5-7-10-18/h5-12,27H,13-14H2,1-4H3,(H,26,31)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



German Cancer Research Center (DKFZ)

Curated by ChEMBL


Assay Description
Inhibition of His-6-tagged human KLK6 R74G/R76Q/N132Q mutant expressed in Escherichia coli DH10 pre-incubated for 30 mins before N-Boc-FSR-AMC substr...

J Med Chem 61: 8859-8874 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01106
BindingDB Entry DOI: 10.7270/Q279479B
More data for this
Ligand-Target Pair