BDBM451115 US10676485, Example 25

SMILES: CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(OC[C@H]5COCCO5)n4)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=NUFGYFIKPGNJFS-LHZFNVEGSA-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 = 451115   

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))	BDBM451115 (US10676485, Example 25) Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(OC[C@H]5COCCO5)n4)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/C47H47Cl2FN6O9S/c1-26-37-27(2)41(49)42(40(26)48)64-33(20-56-14-12-55(3)13-15-56)23-61-32-8-9-35(62-21-31-10-11-51-47(54-31)63-24-34-22-59-16-17-60-34)29(18-32)19-36(46(57)58)65-44-39-38(37)43(66-45(39)53-25-52-44)28-4-6-30(50)7-5-28/h4-11,18,25,33-34,36H,12-17,19-24H2,1-3H3,(H,57,58)/t33-,34-,36-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.00300	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))	BDBM451115 (US10676485, Example 25) Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(OC[C@H]5COCCO5)n4)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/C47H47Cl2FN6O9S/c1-26-37-27(2)41(49)42(40(26)48)64-33(20-56-14-12-55(3)13-15-56)23-61-32-8-9-35(62-21-31-10-11-51-47(54-31)63-24-34-22-59-16-17-60-34)29(18-32)19-36(46(57)58)65-44-39-38(37)43(66-45(39)53-25-52-44)28-4-6-30(50)7-5-28/h4-11,18,25,33-34,36H,12-17,19-24H2,1-3H3,(H,57,58)/t33-,34-,36-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	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