BDBM50104511 7-{4-[3,6-Dioxo-5-[1-{4-[(thiophene-2-carbonyl)-amino]-phenyl}-meth-(Z)-ylidene]-piperazin-(2Z)-ylidenemethyl]-phenylcarbamoyl}-heptanoic acid::CHEMBL86470

SMILES: OC(=O)CCCCCCC(=O)Nc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1

InChI Key: InChIKey=ACGGZTKDDKCUTM-GJEUYDLNSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104511   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50104511 (7-{4-[3,6-Dioxo-5-[1-{4-[(thiophene-2-carbonyl)-am...) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1 Show InChI InChI=1S/C31H30N4O6S/c36-27(7-3-1-2-4-8-28(37)38)32-22-13-9-20(10-14-22)18-24-29(39)35-25(30(40)34-24)19-21-11-15-23(16-12-21)33-31(41)26-6-5-17-42-26/h5-6,9-19H,1-4,7-8H2,(H,32,36)(H,33,41)(H,34,40)(H,35,39)(H,37,38)/b24-18-,25-19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Limited Curated by ChEMBL					Assay Description Inhibitory activity of compound against Plasminogen activator inhibitor-1				Bioorg Med Chem Lett 11: 2589-92 (2001) BindingDB Entry DOI: 10.7270/Q20865TG
					More data for this Ligand-Target Pair