BDBM50514212 CHEMBL4574884

SMILES: OC(=O)Cc1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1

InChI Key: InChIKey=AAZSOJVEZZKSJB-VWLOTQADSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514212   

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))	BDBM50514212 (CHEMBL4574884) Show SMILES OC(=O)Cc1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1 |r| Show InChI InChI=1S/C25H28ClNO3/c26-20-7-8-21-19(13-20)5-2-10-25(21)15-27(14-17-3-1-4-17)22-11-18(12-24(28)29)6-9-23(22)30-16-25/h6-9,11,13,17H,1-5,10,12,14-16H2,(H,28,29)/t25-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310
					More data for this Ligand-Target Pair