Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]' and Ligand = 'BDBM471007'   

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 [171-327] (Homo sapiens (Human))	BDBM471007 (US10821115, Example 100020 | US10821115, Example 1...) Show SMILES C[C@H]1C\C=C\[C@@](O)(CS(=O)(=O)N(C)C)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3| Show InChI InChI=1S/C35H46ClN3O7S2/c1-23-7-5-16-35(41,22-47(42,43)38(3)4)30-12-9-27(30)19-39-20-34(15-6-8-25-17-28(36)11-13-29(25)34)21-46-32-14-10-26(18-31(32)39)33(40)37-48(44,45)24(23)2/h5,10-11,13-14,16-18,23-24,27,30,41H,6-9,12,15,19-22H2,1-4H3,(H,37,40)/b16-5+/t23-,24+,27-,30+,34-,35+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...				US Patent US10821115 (2020) BindingDB Entry DOI: 10.7270/Q23T9MB5
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM471007 (US10821115, Example 100020 | US10821115, Example 1...) Show SMILES C[C@H]1C\C=C\[C@@](O)(CS(=O)(=O)N(C)C)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3| Show InChI InChI=1S/C35H46ClN3O7S2/c1-23-7-5-16-35(41,22-47(42,43)38(3)4)30-12-9-27(30)19-39-20-34(15-6-8-25-17-28(36)11-13-29(25)34)21-46-32-14-10-26(18-31(32)39)33(40)37-48(44,45)24(23)2/h5,10-11,13-14,16-18,23-24,27,30,41H,6-9,12,15,19-22H2,1-4H3,(H,37,40)/b16-5+/t23-,24+,27-,30+,34-,35+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.522	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...				US Patent US10821115 (2020) BindingDB Entry DOI: 10.7270/Q23T9MB5
					More data for this Ligand-Target Pair