Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50519044'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50519044 (CHEMBL4456457) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc2[nH]ccc12 |r,wU:10.10,(19.32,-30,;18.55,-28.66,;17.01,-28.66,;16.11,-29.91,;14.64,-29.44,;13.31,-30.21,;11.97,-29.44,;11.97,-27.9,;13.31,-27.13,;13.3,-25.59,;11.97,-24.82,;11.97,-23.28,;10.63,-22.51,;10.64,-20.97,;9.3,-20.21,;7.97,-20.98,;7.98,-22.53,;9.31,-23.29,;10.64,-25.59,;9.3,-24.83,;10.64,-27.13,;14.64,-27.89,;16.11,-27.42,;16.58,-25.95,;15.55,-24.82,;16.02,-23.36,;17.53,-23.03,;18.56,-24.17,;20.1,-24.16,;20.58,-25.62,;19.34,-26.54,;18.09,-25.63,)| Show InChI InChI=1S/C25H21N3O3S/c1-2-20-21(17-9-6-10-18-16(17)11-12-26-18)22-23(27-14-28-24(22)32-20)31-19(25(29)30)13-15-7-4-3-5-8-15/h3-12,14,19,26H,2,13H2,1H3,(H,29,30)/t19-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	640	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 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519044 (CHEMBL4456457) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc2[nH]ccc12 |r,wU:10.10,(19.32,-30,;18.55,-28.66,;17.01,-28.66,;16.11,-29.91,;14.64,-29.44,;13.31,-30.21,;11.97,-29.44,;11.97,-27.9,;13.31,-27.13,;13.3,-25.59,;11.97,-24.82,;11.97,-23.28,;10.63,-22.51,;10.64,-20.97,;9.3,-20.21,;7.97,-20.98,;7.98,-22.53,;9.31,-23.29,;10.64,-25.59,;9.3,-24.83,;10.64,-27.13,;14.64,-27.89,;16.11,-27.42,;16.58,-25.95,;15.55,-24.82,;16.02,-23.36,;17.53,-23.03,;18.56,-24.17,;20.1,-24.16,;20.58,-25.62,;19.34,-26.54,;18.09,-25.63,)| Show InChI InChI=1S/C25H21N3O3S/c1-2-20-21(17-9-6-10-18-16(17)11-12-26-18)22-23(27-14-28-24(22)32-20)31-19(25(29)30)13-15-7-4-3-5-8-15/h3-12,14,19,26H,2,13H2,1H3,(H,29,30)/t19-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	640	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 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair