BDBM449659 US10703733, Example 272::US10988451, Example 272

SMILES: CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC3(C2)CN(C)C(=O)O3)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2

InChI Key: InChIKey=BYEADOCOWNKNFZ-FIXRBVNKSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 449659   

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))	BDBM449659 (US10703733, Example 272 | US10988451, Example 272) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC3(C2)CN(C)C(=O)O3)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C39H48ClN5O7S/c1-25-6-4-8-33(50-3)30-12-9-28(30)18-44-20-38(15-5-7-26-16-29(40)11-13-31(26)38)24-51-34-14-10-27(17-32(34)44)35(46)41-53(49,19-25)42-36(47)45-22-39(23-45)21-43(2)37(48)52-39/h4,8,10-11,13-14,16-17,25,28,30,33H,5-7,9,12,15,18-24H2,1-3H3,(H,41,42,46,47,49)/b8-4+/t25-,28-,30+,33-,38-,53-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0180	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
Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]/Bcl-2-like protein 11 [51-76] (Homo sapiens (Human))	BDBM449659 (US10703733, Example 272 | US10988451, Example 272) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC3(C2)CN(C)C(=O)O3)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C39H48ClN5O7S/c1-25-6-4-8-33(50-3)30-12-9-28(30)18-44-20-38(15-5-7-26-16-29(40)11-13-31(26)38)24-51-34-14-10-27(17-32(34)44)35(46)41-53(49,19-25)42-36(47)45-22-39(23-45)21-43(2)37(48)52-39/h4,8,10-11,13-14,16-17,25,28,30,33H,5-7,9,12,15,18-24H2,1-3H3,(H,41,42,46,47,49)/b8-4+/t25-,28-,30+,33-,38-,53-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0180	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