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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kallikrein-1' and Ligand = 'BDBM50012999'   
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-1


(Homo sapiens (Human))		BDBM50012999
PNG
(CHEMBL2371642 | {1-[1-(4-Amino-1-formyl-butylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C=O |r|
Show InChI InChI=1S/C25H40N4O5/c1-17(2)13-21(23(31)27-20(15-30)11-8-12-26)28-24(32)22(14-18(3)4)29-25(33)34-16-19-9-6-5-7-10-19/h5-7,9-10,15,17-18,20-22H,8,11-14,16,26H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t20-,21-,22-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.93E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of Kallikrein proteolytic enzyme

J Med Chem 33: 86-93 (1990)


BindingDB Entry DOI: 10.7270/Q2028QHR
More data for this
Ligand-Target Pair