Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50589742'   

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))	BDBM50589742 (CHEMBL5173872) Show SMILES CN1CCN(CCOc2ccc(-c3c(sc4ncnc(O[C@@H](Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 |r,wU:21.21,(.89,-8.59,;.6,-7.39,;1.71,-6.33,;1.35,-4.83,;-.13,-4.4,;-.49,-2.9,;.63,-1.84,;.27,-.34,;1.38,.72,;1.02,2.22,;2.13,3.28,;3.61,2.84,;4.64,3.99,;6.17,3.83,;6.8,5.23,;5.66,6.26,;5.66,7.8,;4.32,8.57,;2.99,7.8,;2.99,6.26,;1.65,5.5,;.32,6.27,;-1.02,5.5,;-2.35,6.27,;-2.35,7.81,;-3.67,8.59,;-5.01,7.82,;-5.01,6.28,;-3.69,5.51,;-3.69,3.97,;-5.04,3.2,;-5.04,1.66,;-3.8,.78,;-4.28,-.69,;-5.82,-.69,;-6.29,.78,;-7.75,1.27,;-8.9,.25,;-9.83,-.56,;-8.66,-.95,;-10.07,.64,;.32,7.81,;1.39,8.43,;-.75,8.43,;4.32,5.49,;6.95,2.49,;6.42,1.07,;7.64,.13,;8.91,1,;10.07,.59,;8.47,2.49,;3.98,1.35,;5.16,1.01,;2.86,.29,;3.15,-.91,;-1.24,-5.46,;-.88,-6.96,)| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00095d BindingDB Entry DOI: 10.7270/Q2XK8KHN
					More data for this Ligand-Target Pair