Found 2 hits for monomerid = 451118 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)) | BDBM451118
(US10676485, Example 28)Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@](F)(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:39.75,6.5,24.26,wD:21.21,29.29,24.25,(15.55,6.11,;14.06,5.71,;13.66,4.22,;12.17,3.82,;11.09,4.91,;9.6,4.51,;9.2,3.03,;7.71,2.63,;4.56,5.47,;3.79,4.13,;2.25,4.13,;1.48,2.8,;2.25,1.47,;1.48,.13,;-.06,.13,;-.83,1.47,;-.06,2.8,;-.83,4.13,;-2.37,4.13,;-3.14,2.8,;-2.37,1.47,;-4.68,2.8,;-5.45,4.13,;-6.99,4.13,;-7.76,2.8,;-9.09,2.03,;-9.09,3.57,;-10.42,2.8,;-11.76,3.57,;-13.09,2.8,;-13.09,1.26,;-14.43,.49,;-15.76,1.26,;-15.76,2.8,;-14.43,3.57,;-6.99,1.47,;-5.45,1.47,;3.79,1.47,;4.56,.13,;4.56,-1.41,;5.9,-2.18,;5.9,-3.72,;4.56,-4.49,;4.56,-6.03,;5.9,-6.8,;7.23,-6.03,;8.69,-6.5,;9.6,-5.26,;8.69,-4.01,;9.09,-2.53,;8,-1.44,;6.52,-1.04,;8.4,.05,;7.31,1.14,;9.89,.45,;10.29,1.94,;10.98,-.64,;12.47,-.24,;10.58,-2.13,;11.67,-3.22,;7.23,-4.49,;11.14,-5.26,;11.91,-6.59,;13.45,-6.59,;14.22,-5.26,;15.76,-5.26,;13.45,-3.92,;11.91,-3.92,;3.23,-2.18,;1.9,-1.41,;3.23,-3.72,;4.56,2.8,;11.48,6.4,;12.97,6.8,)| Show InChI InChI=1S/C54H58Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-9,12,15,22,30,34,39-40,42H,10-11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t34-,39-,40+,42-,54+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 0.0170 | 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)) | BDBM451118
(US10676485, Example 28)Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@](F)(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:39.75,6.5,24.26,wD:21.21,29.29,24.25,(15.55,6.11,;14.06,5.71,;13.66,4.22,;12.17,3.82,;11.09,4.91,;9.6,4.51,;9.2,3.03,;7.71,2.63,;4.56,5.47,;3.79,4.13,;2.25,4.13,;1.48,2.8,;2.25,1.47,;1.48,.13,;-.06,.13,;-.83,1.47,;-.06,2.8,;-.83,4.13,;-2.37,4.13,;-3.14,2.8,;-2.37,1.47,;-4.68,2.8,;-5.45,4.13,;-6.99,4.13,;-7.76,2.8,;-9.09,2.03,;-9.09,3.57,;-10.42,2.8,;-11.76,3.57,;-13.09,2.8,;-13.09,1.26,;-14.43,.49,;-15.76,1.26,;-15.76,2.8,;-14.43,3.57,;-6.99,1.47,;-5.45,1.47,;3.79,1.47,;4.56,.13,;4.56,-1.41,;5.9,-2.18,;5.9,-3.72,;4.56,-4.49,;4.56,-6.03,;5.9,-6.8,;7.23,-6.03,;8.69,-6.5,;9.6,-5.26,;8.69,-4.01,;9.09,-2.53,;8,-1.44,;6.52,-1.04,;8.4,.05,;7.31,1.14,;9.89,.45,;10.29,1.94,;10.98,-.64,;12.47,-.24,;10.58,-2.13,;11.67,-3.22,;7.23,-4.49,;11.14,-5.26,;11.91,-6.59,;13.45,-6.59,;14.22,-5.26,;15.76,-5.26,;13.45,-3.92,;11.91,-3.92,;3.23,-2.18,;1.9,-1.41,;3.23,-3.72,;4.56,2.8,;11.48,6.4,;12.97,6.8,)| Show InChI InChI=1S/C54H58Cl2F2N6O9S/c1-31-43-32(2)47(56)48(46(31)55)72-39(24-64-18-16-63(3)17-19-64)28-70-38-8-9-41(71-25-37-12-15-59-50(62-37)34-10-13-54(58,14-11-34)29-68-27-40-26-67-20-21-69-40)35(22-38)23-42(53(65)66)73-51-45-44(43)49(74-52(45)61-30-60-51)33-4-6-36(57)7-5-33/h4-9,12,15,22,30,34,39-40,42H,10-11,13-14,16-21,23-29H2,1-3H3,(H,65,66)/t34-,39-,40+,42-,54+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.180 | 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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