BDBM451106 US10676485, Example 16

SMILES: CN1CCN(C[C@@H]2COc3ccc(OCc4cncc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1

InChI Key: InChIKey=DOZBNOIDQGFFLJ-JISRSEIWSA-N

Data: 2 KI

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 = 451106   

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 (Homo sapiens (Human))	BDBM451106 (US10676485, Example 16) Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4cncc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r| Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-44-31(2)48(55)49(47(30)54)70-39(24-62-16-14-61(3)15-17-62)27-68-38-12-13-42(69-25-36-22-57-23-41(60-36)32-6-10-37(11-7-32)67-28-40-26-65-18-19-66-40)34(20-38)21-43(53(63)64)71-51-46-45(44)50(72-52(46)59-29-58-51)33-4-8-35(56)9-5-33/h4-13,20,22-23,29,39-40,43H,14-19,21,24-28H2,1-3H3,(H,63,64)/t39-,40-,43-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...				US Patent US10676485 (2020)
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM451106 (US10676485, Example 16) Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4cncc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r| Show InChI InChI=1S/C53H51Cl2FN6O9S/c1-30-44-31(2)48(55)49(47(30)54)70-39(24-62-16-14-61(3)15-17-62)27-68-38-12-13-42(69-25-36-22-57-23-41(60-36)32-6-10-37(11-7-32)67-28-40-26-65-18-19-66-40)34(20-38)21-43(53(63)64)71-51-46-45(44)50(72-52(46)59-29-58-51)33-4-8-35(56)9-5-33/h4-13,20,22-23,29,39-40,43H,14-19,21,24-28H2,1-3H3,(H,63,64)/t39-,40-,43-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance...				US Patent US10676485 (2020)
					More data for this Ligand-Target Pair