BDBM50086696 CHEMBL3426318

SMILES: OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3OCCn1c23

InChI Key: InChIKey=GYXCCVUCWNJZJK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50086696   

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))	BDBM50086696 (CHEMBL3426318) Show SMILES OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3OCCn1c23 Show InChI InChI=1S/C23H19NO4/c25-23(26)22-18(17-8-4-10-20-21(17)24(22)12-14-28-20)11-13-27-19-9-3-6-15-5-1-2-7-16(15)19/h1-10H,11-14H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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 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))	BDBM50086696 (CHEMBL3426318) Show SMILES OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3OCCn1c23 Show InChI InChI=1S/C23H19NO4/c25-23(26)22-18(17-8-4-10-20-21(17)24(22)12-14-28-20)11-13-27-19-9-3-6-15-5-1-2-7-16(15)19/h1-10H,11-14H2,(H,25,26)	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	1.27E+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