Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasminogen activator inhibitor 1' and Ligand = 'BDBM50454581'   

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))	BDBM50454581 (CHEMBL4205472) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)NCc1cccc(c1)-c1ccoc1 Show InChI InChI=1S/C20H15ClN2O5/c21-15-4-5-17(16(9-15)20(26)27)23-19(25)18(24)22-10-12-2-1-3-13(8-12)14-6-7-28-11-14/h1-9,11H,10H2,(H,22,24)(H,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.55E+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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