BDBM451111 US10676485, Example 21

SMILES: CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4cccc(OC[C@H]5COCCO5)c4)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=QBXONEVAKRWGSA-KWIIHVIGSA-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 = 451111   

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))	BDBM451111 (US10676485, Example 21) Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4cccc(OC[C@H]5COCCO5)c4)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/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-17-15-61(3)16-18-62)27-67-38-11-12-41(69-25-36-13-14-57-50(60-36)33-5-4-6-37(21-33)68-28-40-26-65-19-20-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-7-9-35(56)10-8-32/h4-14,21-22,29,39-40,42H,15-20,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0110	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))	BDBM451111 (US10676485, Example 21) Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4cccc(OC[C@H]5COCCO5)c4)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/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-17-15-61(3)16-18-62)27-67-38-11-12-41(69-25-36-13-14-57-50(60-36)33-5-4-6-37(21-33)68-28-40-26-65-19-20-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-7-9-35(56)10-8-32/h4-14,21-22,29,39-40,42H,15-20,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.01	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