BDBM50514211 CHEMBL4515030

SMILES: OC(=O)c1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1

InChI Key: InChIKey=UZONKUOJBLOPMC-DEOSSOPVSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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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 = 50514211   

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))	BDBM50514211 (CHEMBL4515030) Show SMILES OC(=O)c1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1 |r| Show InChI InChI=1S/C24H26ClNO3/c25-19-7-8-20-17(11-19)5-2-10-24(20)14-26(13-16-3-1-4-16)21-12-18(23(27)28)6-9-22(21)29-15-24/h6-9,11-12,16H,1-5,10,13-15H2,(H,27,28)/t24-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	27	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				3D Structure (crystal)