null

SMILES: CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2CC2(F)F)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2

InChI Key: InChIKey=ALQVSMPQIQKQDI-SQZLLRJKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 449548   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM449548 (US10703733, Example 161 | US10988451, Example 161) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2CC2(F)F)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C36H43ClF2N4O5S/c1-22-5-3-7-30(47-2)27-11-8-25(27)18-43-20-35(14-4-6-23-15-26(37)10-12-28(23)35)21-48-31-13-9-24(16-29(31)43)33(44)41-49(46,19-22)42-34(45)40-32-17-36(32,38)39/h3,7,9-10,12-13,15-16,22,25,27,30,32H,4-6,8,11,14,17-21H2,1-2H3,(H2,40,41,42,44,45,46)/b7-3+/t22-,25-,27+,30-,32-,35-,49-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...				US Patent US10988451 (2021)
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449548 (US10703733, Example 161 | US10988451, Example 161) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2CC2(F)F)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C36H43ClF2N4O5S/c1-22-5-3-7-30(47-2)27-11-8-25(27)18-43-20-35(14-4-6-23-15-26(37)10-12-28(23)35)21-48-31-13-9-24(16-29(31)43)33(44)41-49(46,19-22)42-34(45)40-32-17-36(32,38)39/h3,7,9-10,12-13,15-16,22,25,27,30,32H,4-6,8,11,14,17-21H2,1-2H3,(H2,40,41,42,44,45,46)/b7-3+/t22-,25-,27+,30-,32-,35-,49-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...				US Patent US10703733 (2020)
					More data for this Ligand-Target Pair