BDBM50519039 CHEMBL4450734

SMILES: CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc(CN2CCN(C)CC2)c(O)c(Cl)c1C

InChI Key: InChIKey=DCMCGGYUUNYUDN-JOCHJYFZSA-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 = 50519039   

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))	BDBM50519039 (CHEMBL4450734) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc(CN2CCN(C)CC2)c(O)c(Cl)c1C |r,wU:10.10,(17.24,-17.95,;16.47,-16.62,;14.93,-16.62,;14.03,-17.87,;12.57,-17.39,;11.23,-18.17,;9.89,-17.4,;9.89,-15.85,;11.23,-15.08,;11.23,-13.54,;9.89,-12.78,;9.89,-11.24,;8.56,-10.47,;8.56,-8.93,;7.23,-8.16,;5.89,-8.93,;5.9,-10.48,;7.24,-11.24,;8.56,-13.55,;7.23,-12.78,;8.56,-15.09,;12.57,-15.85,;14.03,-15.37,;14.5,-13.91,;13.47,-12.77,;13.94,-11.31,;12.91,-10.17,;13.38,-8.7,;14.89,-8.38,;15.36,-6.92,;14.33,-5.78,;14.81,-4.31,;12.83,-6.1,;12.35,-7.57,;15.45,-10.98,;15.92,-9.52,;16.48,-12.12,;17.99,-11.8,;16.01,-13.59,;17.05,-14.73,)| Show InChI InChI=1S/C30H33ClN4O4S/c1-4-23-24(21-15-20(27(36)26(31)18(21)2)16-35-12-10-34(3)11-13-35)25-28(32-17-33-29(25)40-23)39-22(30(37)38)14-19-8-6-5-7-9-19/h5-9,15,17,22,36H,4,10-14,16H2,1-3H3,(H,37,38)/t22-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134
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