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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kallikrein-1 (KLK1)' and Ligand = 'BDBM50031709'   
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 (KLK1)


(Homo sapiens (Human))
BDBM50031709
PNG
(4-Guanidino-benzoic acid 4-carboxymethyl-phenyl es...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 2.32E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031709
PNG
(4-Guanidino-benzoic acid 4-carboxymethyl-phenyl es...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Arg-pNA) for pancreatic kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)

More data for this
Ligand-Target Pair