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 = 'BDBM473892'   

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))	BDBM473892 (4-(N-benzyl-4- phenoxyphenyl- sulfonamido)- 2-hydr...) Show SMILES Oc1cc(ccc1C(=O)NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C32H26N2O7S2/c35-31-22-25(16-21-30(31)32(36)33-42(37,38)28-14-8-3-9-15-28)34(23-24-10-4-1-5-11-24)43(39,40)29-19-17-27(18-20-29)41-26-12-6-2-7-13-26/h1-22,35H,23H2,(H,33,36)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
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