null

SMILES: COCC1CN(C1)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2

InChI Key: InChIKey=GKQMDHFXZGULOR-BYFMOJQUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 449733   

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))	BDBM449733 (US10703733, Example 346 | US10988451, Example 346) Show SMILES COCC1CN(C1)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2 |r,t:46| Show InChI InChI=1S/C38H49ClN4O6S/c1-25-6-4-8-34(48-3)31-12-9-29(31)20-43-23-38(15-5-7-27-16-30(39)11-13-32(27)38)24-49-35-14-10-28(17-33(35)43)36(44)40-50(46,22-25)41-37(45)42-18-26(19-42)21-47-2/h4,8,10-11,13-14,16-17,25-26,29,31,34H,5-7,9,12,15,18-24H2,1-3H3,(H,40,41,44,45,46)/b8-4+/t25-,29-,31+,34-,38-,50-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0310	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))	BDBM449733 (US10703733, Example 346 | US10988451, Example 346) Show SMILES COCC1CN(C1)C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC)\C=C\C[C@H](C)C1)c3c2 |r,t:46| Show InChI InChI=1S/C38H49ClN4O6S/c1-25-6-4-8-34(48-3)31-12-9-29(31)20-43-23-38(15-5-7-27-16-30(39)11-13-32(27)38)24-49-35-14-10-28(17-33(35)43)36(44)40-50(46,22-25)41-37(45)42-18-26(19-42)21-47-2/h4,8,10-11,13-14,16-17,25-26,29,31,34H,5-7,9,12,15,18-24H2,1-3H3,(H,40,41,44,45,46)/b8-4+/t25-,29-,31+,34-,38-,50-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0310	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