BDBM50086705 CHEMBL3426326

SMILES: OC(=O)c1c(CCCOc2ccc(Cl)c3ccccc23)c2cccc3SCCn1c23

InChI Key: InChIKey=SPYVTODDKXWTQY-UHFFFAOYSA-N

Data: 3 KI

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 = 50086705   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086705 (CHEMBL3426326) Show SMILES OC(=O)c1c(CCCOc2ccc(Cl)c3ccccc23)c2cccc3SCCn1c23 Show InChI InChI=1S/C24H20ClNO3S/c25-19-10-11-20(16-6-2-1-5-15(16)19)29-13-4-8-18-17-7-3-9-21-22(17)26(12-14-30-21)23(18)24(27)28/h1-3,5-7,9-11H,4,8,12-14H2,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50086705 (CHEMBL3426326) Show SMILES OC(=O)c1c(CCCOc2ccc(Cl)c3ccccc23)c2cccc3SCCn1c23 Show InChI InChI=1S/C24H20ClNO3S/c25-19-10-11-20(16-6-2-1-5-15(16)19)29-13-4-8-18-17-7-3-9-21-22(17)26(12-14-30-21)23(18)24(27)28/h1-3,5-7,9-11H,4,8,12-14H2,(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Bcl-2 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50086705 (CHEMBL3426326) Show SMILES OC(=O)c1c(CCCOc2ccc(Cl)c3ccccc23)c2cccc3SCCn1c23 Show InChI InChI=1S/C24H20ClNO3S/c25-19-10-11-20(16-6-2-1-5-15(16)19)29-13-4-8-18-17-7-3-9-21-22(17)26(12-14-30-21)23(18)24(27)28/h1-3,5-7,9-11H,4,8,12-14H2,(H,27,28)	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	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Bcl-xL (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair