Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasminogen activator inhibitor 1' and Ligand = 'BDBM50127730'   

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))	BDBM50127730 ((E)-3-[5,6-Bis-(4-benzyl-benzyloxy)-3-(4-chloro-ph...) Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(Cc4ccccc4)cc3)c(OCc3ccc(Cc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1 Show InChI InChI=1S/C50H38ClNO5S/c51-41-19-21-42(22-20-41)57-49-44-29-45(55-32-38-15-11-36(12-16-38)27-34-7-3-1-4-8-34)46(56-33-39-17-13-37(14-18-39)28-35-9-5-2-6-10-35)31-47(44)58-48(49)30-43(50(53)54)40-23-25-52-26-24-40/h1-26,29-31H,27-28,32-33H2,(H,53,54)/b43-30+	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	270	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...				Bioorg Med Chem Lett 13: 1705-8 (2003) BindingDB Entry DOI: 10.7270/Q2J965SB
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