BDBM50176864 CHEMBL3814822

SMILES: Oc1c(F)cc(\C=C\C(=O)c2ccc3OCCc3c2)cc1F

InChI Key: InChIKey=MLBDMYBFZQMNQS-HNQUOIGGSA-N

Data: 1 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 1 hit for monomerid = 50176864   

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))	BDBM50176864 (CHEMBL3814822) Show SMILES Oc1c(F)cc(\C=C\C(=O)c2ccc3OCCc3c2)cc1F Show InChI InChI=1S/C17H12F2O3/c18-13-7-10(8-14(19)17(13)21)1-3-15(20)11-2-4-16-12(9-11)5-6-22-16/h1-4,7-9,21H,5-6H2/b3-1+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...				J Med Chem 59: 4152-70 (2016) BindingDB Entry DOI: 10.7270/Q2TX3H9R
					More data for this Ligand-Target Pair