Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasminogen activator inhibitor 1' and Ligand = 'BDBM50139552'   

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))	BDBM50139552 (1-[3-Fluoro-6-nitro-2-({3-trifluoromethyl-4-[4-(3-...) Show SMILES OC(=O)C1CCCN1c1c(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)c(F)ccc1[N+]([O-])=O Show InChI InChI=1S/C30H28F7N5O4/c31-23-7-9-25(42(45)46)27(41-10-2-5-26(41)28(43)44)21(23)17-38-19-6-8-24(22(16-19)30(35,36)37)40-13-11-39(12-14-40)20-4-1-3-18(15-20)29(32,33)34/h1,3-4,6-9,15-16,26,38H,2,5,10-14,17H2,(H,43,44)	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 Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1)				Bioorg Med Chem Lett 14: 761-5 (2004) BindingDB Entry DOI: 10.7270/Q26T0M23
					More data for this Ligand-Target Pair