Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM451123' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/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)) | BDBM451123
(US10676485, Example 33)Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1 |r,wU:39.73,6.5,24.26,wD:21.21,29.29,24.25,t:51,(15.65,6.11,;14.17,5.71,;13.77,4.22,;12.28,3.82,;11.19,4.91,;9.7,4.51,;9.31,3.03,;7.82,2.63,;4.67,5.47,;3.9,4.13,;2.36,4.13,;1.59,2.8,;2.36,1.47,;1.59,.13,;.05,.13,;-.72,1.47,;.05,2.8,;-.72,4.13,;-2.26,4.13,;-3.03,2.8,;-2.26,1.47,;-4.57,2.8,;-5.34,4.13,;-6.88,4.13,;-7.65,2.8,;-8.99,2.03,;-8.99,3.57,;-10.32,2.8,;-11.65,3.57,;-12.99,2.8,;-12.99,1.26,;-14.32,.49,;-15.65,1.26,;-15.65,2.8,;-14.32,3.57,;-6.88,1.47,;-5.34,1.47,;3.9,1.47,;4.67,.13,;4.67,-1.41,;6,-2.18,;6,-3.72,;4.67,-4.49,;4.67,-6.03,;6,-6.8,;7.34,-6.03,;8.8,-6.5,;9.71,-5.26,;11.25,-5.26,;12.15,-4.01,;13.62,-4.49,;13.62,-6.03,;12.15,-6.5,;8.8,-4.01,;9.2,-2.53,;8.11,-1.44,;6.62,-1.04,;8.51,.05,;7.42,1.14,;10,.45,;10.39,1.94,;11.08,-.64,;12.57,-.24,;10.69,-2.13,;11.78,-3.22,;7.34,-4.49,;3.33,-2.18,;2,-1.41,;3.33,-3.72,;4.67,2.8,;11.59,6.4,;13.08,6.8,)| Show InChI InChI=1S/C53H61Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-9,12,15,22,30,34,38-39,41H,4-5,7,10-11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t34-,38-,39+,41-,53+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 0.0230 | 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)
BindingDB Entry DOI: 10.7270/Q2PZ5CWK |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM451123
(US10676485, Example 33)Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@](F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1 |r,wU:39.73,6.5,24.26,wD:21.21,29.29,24.25,t:51,(15.65,6.11,;14.17,5.71,;13.77,4.22,;12.28,3.82,;11.19,4.91,;9.7,4.51,;9.31,3.03,;7.82,2.63,;4.67,5.47,;3.9,4.13,;2.36,4.13,;1.59,2.8,;2.36,1.47,;1.59,.13,;.05,.13,;-.72,1.47,;.05,2.8,;-.72,4.13,;-2.26,4.13,;-3.03,2.8,;-2.26,1.47,;-4.57,2.8,;-5.34,4.13,;-6.88,4.13,;-7.65,2.8,;-8.99,2.03,;-8.99,3.57,;-10.32,2.8,;-11.65,3.57,;-12.99,2.8,;-12.99,1.26,;-14.32,.49,;-15.65,1.26,;-15.65,2.8,;-14.32,3.57,;-6.88,1.47,;-5.34,1.47,;3.9,1.47,;4.67,.13,;4.67,-1.41,;6,-2.18,;6,-3.72,;4.67,-4.49,;4.67,-6.03,;6,-6.8,;7.34,-6.03,;8.8,-6.5,;9.71,-5.26,;11.25,-5.26,;12.15,-4.01,;13.62,-4.49,;13.62,-6.03,;12.15,-6.5,;8.8,-4.01,;9.2,-2.53,;8.11,-1.44,;6.62,-1.04,;8.51,.05,;7.42,1.14,;10,.45,;10.39,1.94,;11.08,-.64,;12.57,-.24,;10.69,-2.13,;11.78,-3.22,;7.34,-4.49,;3.33,-2.18,;2,-1.41,;3.33,-3.72,;4.67,2.8,;11.59,6.4,;13.08,6.8,)| Show InChI InChI=1S/C53H61Cl2FN6O9S/c1-31-42-32(2)46(55)47(45(31)54)70-38(24-62-18-16-61(3)17-19-62)28-68-37-8-9-40(35(22-37)23-41(52(63)64)71-50-44-43(42)48(33-6-4-5-7-33)72-51(44)59-30-58-50)69-25-36-12-15-57-49(60-36)34-10-13-53(56,14-11-34)29-66-27-39-26-65-20-21-67-39/h6,8-9,12,15,22,30,34,38-39,41H,4-5,7,10-11,13-14,16-21,23-29H2,1-3H3,(H,63,64)/t34-,38-,39+,41-,53+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.300 | 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)
BindingDB Entry DOI: 10.7270/Q2PZ5CWK |
More data for this
Ligand-Target Pair | |
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