Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasminogen activator inhibitor 1' and Ligand = 'BDBM50111273'   

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))	BDBM50111273 (6-Benzo[b]thiophen-2-yl-4-hydroxy-2-oxo-1,2-dihydr...) Show SMILES Oc1c(C(=O)Nc2ccc(OCCCCCCCn3cnnn3)cc2)c(=O)[nH]c2ccc(cc12)-c1cc2ccccc2s1 Show InChI InChI=1S/C32H30N6O4S/c39-30-25-18-22(28-19-21-8-4-5-9-27(21)43-28)10-15-26(25)35-32(41)29(30)31(40)34-23-11-13-24(14-12-23)42-17-7-3-1-2-6-16-38-20-33-36-37-38/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,34,40)(H2,35,39,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Limited Curated by ChEMBL					Assay Description Inhibitory activity against human plasminogen activator inhibitor-1(PAI-1) evaluated by complex assay.				Bioorg Med Chem Lett 12: 1063-6 (2002) BindingDB Entry DOI: 10.7270/Q2W958HQ
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50111273 (6-Benzo[b]thiophen-2-yl-4-hydroxy-2-oxo-1,2-dihydr...) Show SMILES Oc1c(C(=O)Nc2ccc(OCCCCCCCn3cnnn3)cc2)c(=O)[nH]c2ccc(cc12)-c1cc2ccccc2s1 Show InChI InChI=1S/C32H30N6O4S/c39-30-25-18-22(28-19-21-8-4-5-9-27(21)43-28)10-15-26(25)35-32(41)29(30)31(40)34-23-11-13-24(14-12-23)42-17-7-3-1-2-6-16-38-20-33-36-37-38/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,34,40)(H2,35,39,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Limited Curated by ChEMBL					Assay Description Inhibitory activity against human plasminogen activator inhibitor-1(PAI-1) evaluated by complex assay.				Bioorg Med Chem Lett 12: 1063-6 (2002) BindingDB Entry DOI: 10.7270/Q2W958HQ
					More data for this Ligand-Target Pair