BDBM50191290 3-((5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid::3-(5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid::CHEMBL378530

SMILES: COc1cc(Cl)c(\C=C2/S\C(=N\c3cccc(c3)C(O)=O)N(C)C2=O)cc1OC

InChI Key: InChIKey=OQLMEWQXUAYOHO-PAFNDRTPSA-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 = 50191290   

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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50191290 (3-((5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl...) Show SMILES COc1cc(Cl)c(\C=C2/S\C(=N\c3cccc(c3)C(O)=O)N(C)C2=O)cc1OC Show InChI InChI=1S/C20H17ClN2O5S/c1-23-18(24)17(9-12-8-15(27-2)16(28-3)10-14(12)21)29-20(23)22-13-6-4-5-11(7-13)19(25)26/h4-10H,1-3H3,(H,25,26)/b17-9-,22-20+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alphaVbeta3				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50191290 (3-((5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl...) Show SMILES COc1cc(Cl)c(\C=C2/S\C(=N\c3cccc(c3)C(O)=O)N(C)C2=O)cc1OC Show InChI InChI=1S/C20H17ClN2O5S/c1-23-18(24)17(9-12-8-15(27-2)16(28-3)10-14(12)21)29-20(23)22-13-6-4-5-11(7-13)19(25)26/h4-10H,1-3H3,(H,25,26)/b17-9-,22-20+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of [125I]echistatin binding to integrin alphaVbeta3 receptor				J Med Chem 49: 4526-34 (2006) Article DOI: 10.1021/jm051296s BindingDB Entry DOI: 10.7270/Q2KW5H73
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50191290 (3-((5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl...) Show SMILES COc1cc(Cl)c(\C=C2/S\C(=N\c3cccc(c3)C(O)=O)N(C)C2=O)cc1OC Show InChI InChI=1S/C20H17ClN2O5S/c1-23-18(24)17(9-12-8-15(27-2)16(28-3)10-14(12)21)29-20(23)22-13-6-4-5-11(7-13)19(25)26/h4-10H,1-3H3,(H,25,26)/b17-9-,22-20+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta3 in human NCI-H1975 cells after 3 hrs by gamma counting				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
					More data for this Ligand-Target Pair