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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 = 'BDBM50132874'   
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))		BDBM50132874
PNG
(3-Hydroxy-4-({6-[2-((1R,2S,5R)-2-isopropyl-5-methy...)
Show SMILES COc1cc(C(O)=O)c2Oc3c(CNc4ccc(NC(=O)CO[C@@H]5C[C@H](C)CC[C@H]5C(C)C)nc4)c(O)cc(C)c3C(=O)Oc2c1C
Show InChI InChI=1S/C35H41N3O9/c1-17(2)22-9-7-18(3)11-27(22)45-16-29(40)38-28-10-8-21(14-37-28)36-15-24-25(39)12-19(4)30-32(24)46-33-23(34(41)42)13-26(44-6)20(5)31(33)47-35(30)43/h8,10,12-14,17-18,22,27,36,39H,7,9,11,15-16H2,1-6H3,(H,41,42)(H,37,38,40)/t18-,22+,27-/m1/s1
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Berlex Biosciences

Curated by ChEMBL


Assay Description
Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined by inhibition of Urokinase-type plasminogen activator using primary assay

Bioorg Med Chem Lett 13: 3361-5 (2003)


BindingDB Entry DOI: 10.7270/Q28W3CQ5
More data for this
Ligand-Target Pair