BDBM50165636 2-(4-(5-(4-(3-(4-bromophenyl)acrylamido)-2-chlorophenyl)furan-2-yl)thiazol-2-yl)acetic acid::CHEMBL197366::[4-(5-{4-[3-(4-Bromo-phenyl)-acryloylamino]-2-chloro-phenyl}-furan-2-yl)-thiazol-2-yl]-acetic acid
SMILES: OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1Cl
InChI Key: InChIKey=IIFRGJWMWZUWTR-XCVCLJGOSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heparanase (Homo sapiens (Human)) | BDBM50165636 (2-(4-(5-(4-(3-(4-bromophenyl)acrylamido)-2-chlorop...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd Curated by ChEMBL | Assay Description In vitro inhibitory concentration against human Heparanase | Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heparanase (Homo sapiens (Human)) | BDBM50165636 (2-(4-(5-(4-(3-(4-bromophenyl)acrylamido)-2-chlorop...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Sharif University of Technology Curated by ChEMBL | Assay Description Inhibition of heparanase | Eur J Med Chem 43: 548-56 (2008) Article DOI: 10.1016/j.ejmech.2007.04.014 BindingDB Entry DOI: 10.7270/Q2PC33KM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heparanase (Homo sapiens (Human)) | BDBM50165636 (2-(4-(5-(4-(3-(4-bromophenyl)acrylamido)-2-chlorop...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL | Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) | Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G | |||||||||||
More data for this Ligand-Target Pair |