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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasminogen activator inhibitor 1' and Ligand = 'BDBM50454590'   
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
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50454590
PNG
(CHEMBL4207363)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,26:21:28:25.24.27,26:25:28:22.21.20,THB:22:21:28.23.24:27|
Show InChI InChI=1S/C24H24ClNO3/c25-19-5-6-21(20(10-19)23(28)29)26-22(27)17-1-3-18(4-2-17)24-11-14-7-15(12-24)9-16(8-14)13-24/h1-6,10,14-16H,7-9,11-13H2,(H,26,27)(H,28,29)
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n/an/a 1.17E+3n/an/an/an/an/an/a



Hamari Chemicals, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...

Bioorg Med Chem Lett 28: 809-813 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.016
BindingDB Entry DOI: 10.7270/Q2TH8Q90
More data for this
Ligand-Target Pair