BDBM50086704 CHEMBL3426325

SMILES: OC(=O)c1c(CCCOc2cccc3CCCCc23)c2cccc3SCCn1c23

InChI Key: InChIKey=WOGLKUSZJCJORI-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 = 50086704   

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))	BDBM50086704 (CHEMBL3426325) Show SMILES OC(=O)c1c(CCCOc2cccc3CCCCc23)c2cccc3SCCn1c23 Show InChI InChI=1S/C24H25NO3S/c26-24(27)23-19(18-9-4-12-21-22(18)25(23)13-15-29-21)10-5-14-28-20-11-3-7-16-6-1-2-8-17(16)20/h3-4,7,9,11-12H,1-2,5-6,8,10,13-15H2,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50086704 (CHEMBL3426325) Show SMILES OC(=O)c1c(CCCOc2cccc3CCCCc23)c2cccc3SCCn1c23 Show InChI InChI=1S/C24H25NO3S/c26-24(27)23-19(18-9-4-12-21-22(18)25(23)13-15-29-21)10-5-14-28-20-11-3-7-16-6-1-2-8-17(16)20/h3-4,7,9,11-12H,1-2,5-6,8,10,13-15H2,(H,26,27)	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	3.00E+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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50086704 (CHEMBL3426325) Show SMILES OC(=O)c1c(CCCOc2cccc3CCCCc23)c2cccc3SCCn1c23 Show InChI InChI=1S/C24H25NO3S/c26-24(27)23-19(18-9-4-12-21-22(18)25(23)13-15-29-21)10-5-14-28-20-11-3-7-16-6-1-2-8-17(16)20/h3-4,7,9,11-12H,1-2,5-6,8,10,13-15H2,(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
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