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 = 'BDBM470989'   

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))	BDBM470989 (US10821115, Example 100002 | US10821115, Example 1...) Show SMILES CO[C@@]1(CC(=O)N(C)C)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:9| Show InChI InChI=1S/C37H48ClN3O6S/c1-24-8-6-17-37(46-5,20-34(42)40(3)4)31-13-10-28(31)21-41-22-36(16-7-9-26-18-29(38)12-14-30(26)36)23-47-33-15-11-27(19-32(33)41)35(43)39-48(44,45)25(24)2/h6,11-12,14-15,17-19,24-25,28,31H,7-10,13,16,20-23H2,1-5H3,(H,39,43)/b17-6+/t24-,25+,28-,31+,36-,37+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2020.127717 BindingDB Entry DOI: 10.7270/Q2MW2N34
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