BDBM50308110 (S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-3-phenylpropanoic acid::CHEMBL605114

SMILES: COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1

InChI Key: InChIKey=JQTVGMOPYOBVAL-ALFKQNEGSA-N

Data: 2 KI  2 Kd

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 4 hits for monomerid = 50308110   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Bcl-XL by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Bcl-XL by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Mcl1 by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair