BDBM50519059 CHEMBL4573959

SMILES: CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc2cc(CN(C)C)oc2c(Cl)c1C

InChI Key: InChIKey=LICNYDGOPCLPKU-OAQYLSRUSA-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 = 50519059   

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))	BDBM50519059 (CHEMBL4573959) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc2cc(CN(C)C)oc2c(Cl)c1C |r,wU:10.10,(65.57,-17.15,;64.8,-15.82,;63.26,-15.82,;62.36,-17.06,;60.89,-16.59,;59.56,-17.37,;58.21,-16.6,;58.22,-15.05,;59.55,-14.28,;59.55,-12.74,;58.22,-11.97,;58.21,-10.43,;56.88,-9.67,;56.89,-8.13,;55.55,-7.36,;54.22,-8.13,;54.22,-9.68,;55.56,-10.44,;56.88,-12.75,;55.55,-11.98,;56.89,-14.29,;60.89,-15.05,;62.36,-14.57,;62.82,-13.1,;61.8,-11.97,;62.26,-10.51,;61.48,-9.17,;62.51,-8.01,;62.18,-6.51,;63.32,-5.47,;62.99,-3.97,;64.79,-5.94,;63.93,-8.64,;63.78,-10.18,;64.81,-11.32,;66.31,-10.99,;64.34,-12.79,;65.37,-13.93,)| Show InChI InChI=1S/C29H28ClN3O4S/c1-5-22-23(20-13-18-12-19(14-33(3)4)36-26(18)25(30)16(20)2)24-27(31-15-32-28(24)38-22)37-21(29(34)35)11-17-9-7-6-8-10-17/h6-10,12-13,15,21H,5,11,14H2,1-4H3,(H,34,35)/t21-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	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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