Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasminogen activator inhibitor 1' and Ligand = 'BDBM50454582'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454582 (CHEMBL4206636) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)NCc1cccc(c1)-c1ccoc1 Show InChI InChI=1S/C22H19ClN2O6/c23-17-4-5-19(18(9-17)22(28)29)25-21(27)13-31-12-20(26)24-10-14-2-1-3-15(8-14)16-6-7-30-11-16/h1-9,11H,10,12-13H2,(H,24,26)(H,25,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/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 9.8 nM human tPA...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
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