Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasminogen activator inhibitor 1' and Ligand = 'BDBM50132853'   

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))	BDBM50132853 (3-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2cccc(c2)C(O)=O)ccc1[N+]([O-])=O Show InChI InChI=1S/C25H30N2O7/c1-15(2)20-9-7-16(3)11-23(20)33-14-24(28)26-21-13-19(8-10-22(21)27(31)32)34-18-6-4-5-17(12-18)25(29)30/h4-6,8,10,12-13,15-16,20,23H,7,9,11,14H2,1-3H3,(H,26,28)(H,29,30)/t16-,20+,23-/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 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
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50132853 (3-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2cccc(c2)C(O)=O)ccc1[N+]([O-])=O Show InChI InChI=1S/C25H30N2O7/c1-15(2)20-9-7-16(3)11-23(20)33-14-24(28)26-21-13-19(8-10-22(21)27(31)32)34-18-6-4-5-17(12-18)25(29)30/h4-6,8,10,12-13,15-16,20,23H,7,9,11,14H2,1-3H3,(H,26,28)(H,29,30)/t16-,20+,23-/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	400	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 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