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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kallikrein-7' and Ligand = 'BDBM50460879'   
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-7


(Homo sapiens (Human))		BDBM50460879
PNG
(CHEMBL4228441)
Show SMILES CCC[C@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C30H38ClN7O3/c1-6-8-26(29(39)34-25-10-7-9-20(15-25)23-17-33-37(4)18-23)38-19-28(35-36(2)3)32-16-22(30(38)40)13-21-14-24(31)11-12-27(21)41-5/h7,9-12,14-15,17-18,22,26H,6,8,13,16,19H2,1-5H3,(H,32,35)(H,34,39)/t22-,26+/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...

Bioorg Med Chem Lett 28: 1371-1375 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.011
BindingDB Entry DOI: 10.7270/Q2222XD7
More data for this
Ligand-Target Pair