BDBM50104502 8-{4-[3,6-Dioxo-5-[1-{4-[(thiophene-2-carbonyl)-amino]-phenyl}-meth-(Z)-ylidene]-piperazin-(2Z)-ylidenemethyl]-phenoxy}-octanoic acid::CHEMBL87654

SMILES: OC(=O)CCCCCCCOc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1

InChI Key: InChIKey=QWSPAZWVAYSFKE-DQIQZUARSA-N

Data: 3 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 3 hits for monomerid = 50104502   

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))	BDBM50104502 (8-{4-[3,6-Dioxo-5-[1-{4-[(thiophene-2-carbonyl)-am...) Show SMILES OC(=O)CCCCCCCOc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1 Show InChI InChI=1S/C31H31N3O6S/c35-28(36)8-4-2-1-3-5-17-40-24-15-11-22(12-16-24)20-26-30(38)33-25(29(37)34-26)19-21-9-13-23(14-10-21)32-31(39)27-7-6-18-41-27/h6-7,9-16,18-20H,1-5,8,17H2,(H,32,39)(H,33,38)(H,34,37)(H,35,36)/b25-19-,26-20-	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	510	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Limited Curated by ChEMBL					Assay Description Tissue plasminogen activator generation in plasmin was evaluated by measuring the ability to inhibit Plasminogen activator inhibitor-1 through comple...				Bioorg Med Chem Lett 11: 2589-92 (2001) BindingDB Entry DOI: 10.7270/Q20865TG
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor-1 (Homo sapiens (Human))	BDBM50104502 (8-{4-[3,6-Dioxo-5-[1-{4-[(thiophene-2-carbonyl)-am...) Show SMILES OC(=O)CCCCCCCOc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1 Show InChI InChI=1S/C31H31N3O6S/c35-28(36)8-4-2-1-3-5-17-40-24-15-11-22(12-16-24)20-26-30(38)33-25(29(37)34-26)19-21-9-13-23(14-10-21)32-31(39)27-7-6-18-41-27/h6-7,9-16,18-20H,1-5,8,17H2,(H,32,39)(H,33,38)(H,34,37)(H,35,36)/b25-19-,26-20-	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	260	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Limited Curated by ChEMBL					Assay Description Tissue plasminogen activator generation in plasmin was evaluated by measuring the ability to inhibit Plasminogen activator inhibitor-1 through fibrin...				Bioorg Med Chem Lett 11: 2589-92 (2001) BindingDB Entry DOI: 10.7270/Q20865TG
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor-1 (Homo sapiens (Human))	BDBM50104502 (8-{4-[3,6-Dioxo-5-[1-{4-[(thiophene-2-carbonyl)-am...) Show SMILES OC(=O)CCCCCCCOc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1 Show InChI InChI=1S/C31H31N3O6S/c35-28(36)8-4-2-1-3-5-17-40-24-15-11-22(12-16-24)20-26-30(38)33-25(29(37)34-26)19-21-9-13-23(14-10-21)32-31(39)27-7-6-18-41-27/h6-7,9-16,18-20H,1-5,8,17H2,(H,32,39)(H,33,38)(H,34,37)(H,35,36)/b25-19-,26-20-	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	200	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