BDBM50086687 CHEMBL3426328

SMILES: Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)ccc1Cl

InChI Key: InChIKey=XWIOEODLFVLVCY-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 = 50086687   

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))	BDBM50086687 (CHEMBL3426328) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)ccc1Cl Show InChI InChI=1S/C21H20ClNO3S/c1-13-12-14(7-8-17(13)22)26-10-3-5-16-15-4-2-6-18-19(15)23(9-11-27-18)20(16)21(24)25/h2,4,6-8,12H,3,5,9-11H2,1H3,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	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))	BDBM50086687 (CHEMBL3426328) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)ccc1Cl Show InChI InChI=1S/C21H20ClNO3S/c1-13-12-14(7-8-17(13)22)26-10-3-5-16-15-4-2-6-18-19(15)23(9-11-27-18)20(16)21(24)25/h2,4,6-8,12H,3,5,9-11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+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))	BDBM50086687 (CHEMBL3426328) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)ccc1Cl Show InChI InChI=1S/C21H20ClNO3S/c1-13-12-14(7-8-17(13)22)26-10-3-5-16-15-4-2-6-18-19(15)23(9-11-27-18)20(16)21(24)25/h2,4,6-8,12H,3,5,9-11H2,1H3,(H,24,25)	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	>2.00E+4	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