null

SMILES: CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)N2CCOCC2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2

InChI Key: InChIKey=CDUPCFKIBQIWFA-MISPZJIBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 449736   

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))	BDBM449736 (US10703733, Example 349 | US10988451, Example 349) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)N2CCOCC2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C40H52ClN5O6S/c1-27-5-3-7-36(50-2)33-11-8-30(33)21-46-25-40(14-4-6-28-19-31(41)10-12-34(28)40)26-52-37-13-9-29(20-35(37)46)38(47)42-53(49,24-27)43-39(48)45-22-32(23-45)44-15-17-51-18-16-44/h3,7,9-10,12-13,19-20,27,30,32-33,36H,4-6,8,11,14-18,21-26H2,1-2H3,(H,42,43,47,48,49)/b7-3+/t27-,30-,33+,36-,40-,53-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0260	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))	BDBM449736 (US10703733, Example 349 | US10988451, Example 349) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)N2CCOCC2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C40H52ClN5O6S/c1-27-5-3-7-36(50-2)33-11-8-30(33)21-46-25-40(14-4-6-28-19-31(41)10-12-34(28)40)26-52-37-13-9-29(20-35(37)46)38(47)42-53(49,24-27)43-39(48)45-22-32(23-45)44-15-17-51-18-16-44/h3,7,9-10,12-13,19-20,27,30,32-33,36H,4-6,8,11,14-18,21-26H2,1-2H3,(H,42,43,47,48,49)/b7-3+/t27-,30-,33+,36-,40-,53-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0260	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