BDBM50519057 CHEMBL4448750

SMILES: CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1-c1ccc(cc1)C(C)C

InChI Key: InChIKey=RRQUIUQXUVYFAK-GFCCVEGCSA-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 = 50519057   

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))	BDBM50519057 (CHEMBL4448750) Show SMILES CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1-c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C20H22N2O3S/c1-5-15-16(14-8-6-13(7-9-14)11(2)3)17-18(25-12(4)20(23)24)21-10-22-19(17)26-15/h6-12H,5H2,1-4H3,(H,23,24)/t12-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10E+3	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
					More data for this Ligand-Target Pair