Found 2 hits for monomerid = 451139 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)) | BDBM451139
(US10676485, Example 49)Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@H](COC[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,wU:38.74,6.5,24.25,28.28,wD:21.21,(15.99,5.12,;14.45,5.12,;13.68,3.78,;12.14,3.78,;11.37,5.12,;9.83,5.12,;9.06,3.78,;4.65,2.6,;.22,3.78,;.22,2.24,;-1.12,1.47,;-1.12,-.07,;.22,-.84,;-1.12,-1.61,;-2.6,-2.01,;-3.69,-.92,;-3.3,.57,;-4.38,1.66,;-5.87,1.26,;-6.27,-.23,;-5.18,-1.32,;-7.76,.17,;-8.16,1.66,;-9.64,2.06,;-10.73,.97,;-12.22,1.37,;-12.22,2.91,;-13.71,3.31,;-14.11,4.79,;-13.02,5.88,;-13.42,7.37,;-14.9,7.77,;-15.99,6.68,;-15.59,5.19,;-10.33,-.52,;-8.85,-.92,;1.55,-.07,;2.88,-.84,;2.88,-2.38,;4.22,-3.15,;4.22,-4.69,;2.88,-5.46,;2.88,-7,;4.22,-7.77,;5.55,-7,;7.02,-7.47,;7.92,-6.23,;7.02,-4.98,;9.83,-2.17,;8.5,-1.4,;7.17,-2.17,;8.5,.14,;7.17,.91,;9.83,.91,;9.83,2.45,;11.17,.14,;12.5,.91,;11.17,-1.4,;12.5,-2.17,;5.55,-5.46,;9.46,-6.23,;10.23,-7.56,;11.77,-7.56,;12.54,-6.23,;14.08,-6.23,;11.77,-4.89,;10.23,-4.89,;1.55,-3.15,;.22,-2.38,;1.55,-4.69,;1.55,1.47,;12.14,6.45,;13.68,6.45,)| Show InChI InChI=1S/C54H59Cl2FN6O9S/c1-31-44-32(2)48(56)49(47(31)55)71-40(24-63-18-16-62(3)17-19-63)29-69-39-12-13-42(70-26-38-14-15-58-51(61-38)35-6-4-33(5-7-35)25-67-28-41-27-66-20-21-68-41)36(22-39)23-43(54(64)65)72-52-46-45(44)50(73-53(46)60-30-59-52)34-8-10-37(57)11-9-34/h8-15,22,30,33,35,40-41,43H,4-7,16-21,23-29H2,1-3H3,(H,64,65)/t33-,35-,40-,41+,43-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| <0.0100 | 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)) | BDBM451139
(US10676485, Example 49)Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@H](COC[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,wU:38.74,6.5,24.25,28.28,wD:21.21,(15.99,5.12,;14.45,5.12,;13.68,3.78,;12.14,3.78,;11.37,5.12,;9.83,5.12,;9.06,3.78,;4.65,2.6,;.22,3.78,;.22,2.24,;-1.12,1.47,;-1.12,-.07,;.22,-.84,;-1.12,-1.61,;-2.6,-2.01,;-3.69,-.92,;-3.3,.57,;-4.38,1.66,;-5.87,1.26,;-6.27,-.23,;-5.18,-1.32,;-7.76,.17,;-8.16,1.66,;-9.64,2.06,;-10.73,.97,;-12.22,1.37,;-12.22,2.91,;-13.71,3.31,;-14.11,4.79,;-13.02,5.88,;-13.42,7.37,;-14.9,7.77,;-15.99,6.68,;-15.59,5.19,;-10.33,-.52,;-8.85,-.92,;1.55,-.07,;2.88,-.84,;2.88,-2.38,;4.22,-3.15,;4.22,-4.69,;2.88,-5.46,;2.88,-7,;4.22,-7.77,;5.55,-7,;7.02,-7.47,;7.92,-6.23,;7.02,-4.98,;9.83,-2.17,;8.5,-1.4,;7.17,-2.17,;8.5,.14,;7.17,.91,;9.83,.91,;9.83,2.45,;11.17,.14,;12.5,.91,;11.17,-1.4,;12.5,-2.17,;5.55,-5.46,;9.46,-6.23,;10.23,-7.56,;11.77,-7.56,;12.54,-6.23,;14.08,-6.23,;11.77,-4.89,;10.23,-4.89,;1.55,-3.15,;.22,-2.38,;1.55,-4.69,;1.55,1.47,;12.14,6.45,;13.68,6.45,)| Show InChI InChI=1S/C54H59Cl2FN6O9S/c1-31-44-32(2)48(56)49(47(31)55)71-40(24-63-18-16-62(3)17-19-63)29-69-39-12-13-42(70-26-38-14-15-58-51(61-38)35-6-4-33(5-7-35)25-67-28-41-27-66-20-21-68-41)36(22-39)23-43(54(64)65)72-52-46-45(44)50(73-53(46)60-30-59-52)34-8-10-37(57)11-9-34/h8-15,22,30,33,35,40-41,43H,4-7,16-21,23-29H2,1-3H3,(H,64,65)/t33-,35-,40-,41+,43-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.128 | 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 | |
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