Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasminogen activator inhibitor 1' and Ligand = 'BDBM50132856'   

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))	BDBM50132856 (3-Hydroxy-4-[(4-{[2-((1R,2S,5R)-2-isopropyl-5-meth...) Show SMILES COc1cc(C(O)=O)c2Oc3c(CNc4ccc(CNC(=O)CO[C@@H]5C[C@H](C)CC[C@H]5C(C)C)cc4)c(O)cc(C)c3C(=O)Oc2c1C Show InChI InChI=1S/C37H44N2O9/c1-19(2)25-12-7-20(3)13-30(25)46-18-31(41)39-16-23-8-10-24(11-9-23)38-17-27-28(40)14-21(4)32-34(27)47-35-26(36(42)43)15-29(45-6)22(5)33(35)48-37(32)44/h8-11,14-15,19-20,25,30,38,40H,7,12-13,16-18H2,1-6H3,(H,39,41)(H,42,43)/t20-,25+,30-/m1/s1	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined using plasma clot lysis assay				Bioorg Med Chem Lett 13: 3361-5 (2003) BindingDB Entry DOI: 10.7270/Q28W3CQ5
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50132856 (3-Hydroxy-4-[(4-{[2-((1R,2S,5R)-2-isopropyl-5-meth...) Show SMILES COc1cc(C(O)=O)c2Oc3c(CNc4ccc(CNC(=O)CO[C@@H]5C[C@H](C)CC[C@H]5C(C)C)cc4)c(O)cc(C)c3C(=O)Oc2c1C Show InChI InChI=1S/C37H44N2O9/c1-19(2)25-12-7-20(3)13-30(25)46-18-31(41)39-16-23-8-10-24(11-9-23)38-17-27-28(40)14-21(4)32-34(27)47-35-26(36(42)43)15-29(45-6)22(5)33(35)48-37(32)44/h8-11,14-15,19-20,25,30,38,40H,7,12-13,16-18H2,1-6H3,(H,39,41)(H,42,43)/t20-,25+,30-/m1/s1	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined using plasma clot lysis assay				Bioorg Med Chem Lett 13: 3361-5 (2003) BindingDB Entry DOI: 10.7270/Q28W3CQ5
					More data for this Ligand-Target Pair