BDBM451095 US10676485, Example 5

SMILES: CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COCCO5)nc4)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=XHQYRZGRMKDIPS-YEJLYCBFSA-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 = 451095   

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))	BDBM451095 (US10676485, Example 5) Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COCCO5)nc4)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/C52H50Cl2FN7O9S/c1-29-42-30(2)46(54)47(45(29)53)70-37(23-62-16-14-61(3)15-17-62)26-67-36-9-10-39(68-24-35-12-13-56-49(60-35)32-6-11-41(57-22-32)69-27-38-25-65-18-19-66-38)33(20-36)21-40(52(63)64)71-50-44-43(42)48(72-51(44)59-28-58-50)31-4-7-34(55)8-5-31/h4-13,20,22,28,37-38,40H,14-19,21,23-27H2,1-3H3,(H,63,64)/t37-,38-,40-/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))	BDBM451095 (US10676485, Example 5) Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COCCO5)nc4)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/C52H50Cl2FN7O9S/c1-29-42-30(2)46(54)47(45(29)53)70-37(23-62-16-14-61(3)15-17-62)26-67-36-9-10-39(68-24-35-12-13-56-49(60-35)32-6-11-41(57-22-32)69-27-38-25-65-18-19-66-38)33(20-36)21-40(52(63)64)71-50-44-43(42)48(72-51(44)59-28-58-50)31-4-7-34(55)8-5-31/h4-13,20,22,28,37-38,40H,14-19,21,23-27H2,1-3H3,(H,63,64)/t37-,38-,40-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.710	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