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 = 'BDBM50251650'   

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))	BDBM50251650 (CHEMBL4099902) Show SMILES Cc1c(c(CN2CCCCC2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(O)=O |(7.32,-26.12,;8.79,-25.64,;10.03,-26.54,;11.28,-25.63,;12.74,-26.1,;13.88,-25.07,;15.35,-25.55,;16.49,-24.52,;16.17,-23.01,;14.7,-22.54,;13.55,-23.57,;10.8,-24.17,;9.26,-24.17,;8.35,-22.93,;10.04,-28.08,;8.72,-28.85,;8.71,-30.39,;10.05,-31.16,;11.39,-30.38,;12.86,-30.85,;13.34,-32.31,;12.32,-33.46,;12.8,-34.92,;11.78,-36.08,;12.26,-37.54,;11.24,-38.68,;11.72,-40.14,;10.7,-41.29,;13.23,-40.46,;13.72,-41.92,;14.26,-39.3,;15.77,-39.6,;13.77,-37.84,;13.76,-29.6,;12.84,-28.36,;11.38,-28.84,;15.3,-29.59,;16.06,-28.25,;16.08,-30.92,)| Show InChI InChI=1S/C31H37ClN4O3/c1-19-16-22(17-20(2)28(19)32)39-15-9-12-24-23-10-8-11-25(29(23)33-30(24)31(37)38)27-21(3)35(4)34-26(27)18-36-13-6-5-7-14-36/h8,10-11,16-17,33H,5-7,9,12-15,18H2,1-4H3,(H,37,38)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of FITC-Bak-BH3 binding to recombinant MBP-fused MCL1 (172 to 318 residues) (unknown origin) by TR-FRET assay				Bioorg Med Chem 25: 3087-3092 (2017) Article DOI: 10.1016/j.bmc.2017.03.060 BindingDB Entry DOI: 10.7270/Q2154KGG
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50251650 (CHEMBL4099902) Show SMILES Cc1c(c(CN2CCCCC2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(O)=O |(7.32,-26.12,;8.79,-25.64,;10.03,-26.54,;11.28,-25.63,;12.74,-26.1,;13.88,-25.07,;15.35,-25.55,;16.49,-24.52,;16.17,-23.01,;14.7,-22.54,;13.55,-23.57,;10.8,-24.17,;9.26,-24.17,;8.35,-22.93,;10.04,-28.08,;8.72,-28.85,;8.71,-30.39,;10.05,-31.16,;11.39,-30.38,;12.86,-30.85,;13.34,-32.31,;12.32,-33.46,;12.8,-34.92,;11.78,-36.08,;12.26,-37.54,;11.24,-38.68,;11.72,-40.14,;10.7,-41.29,;13.23,-40.46,;13.72,-41.92,;14.26,-39.3,;15.77,-39.6,;13.77,-37.84,;13.76,-29.6,;12.84,-28.36,;11.38,-28.84,;15.3,-29.59,;16.06,-28.25,;16.08,-30.92,)| Show InChI InChI=1S/C31H37ClN4O3/c1-19-16-22(17-20(2)28(19)32)39-15-9-12-24-23-10-8-11-25(29(23)33-30(24)31(37)38)27-21(3)35(4)34-26(27)18-36-13-6-5-7-14-36/h8,10-11,16-17,33H,5-7,9,12-15,18H2,1-4H3,(H,37,38)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of FITC-Bak-BH3 binding to recombinant MBP-fused MCL1 (172 to 318 residues) (unknown origin) in presence of 1% FBS by TR-FRET assay				Bioorg Med Chem 25: 3087-3092 (2017) Article DOI: 10.1016/j.bmc.2017.03.060 BindingDB Entry DOI: 10.7270/Q2154KGG
					More data for this Ligand-Target Pair