Found 2 hits for monomerid = 451140 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)) | BDBM451140
(US10676485, Example 50)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:38.74,6.5,21.21,24.25,wD:28.28,(15.01,5.44,;13.52,5.04,;13.13,3.55,;11.64,3.16,;10.55,4.24,;9.06,3.85,;8.66,2.36,;7.18,1.96,;4.03,4.8,;3.26,3.47,;1.72,3.47,;.95,2.13,;1.72,.8,;.95,-.54,;-.59,-.54,;-1.36,.8,;-.59,2.13,;-1.36,3.47,;-2.9,3.47,;-3.67,2.13,;-2.9,.8,;-5.21,2.13,;-5.98,3.47,;-7.52,3.47,;-8.29,2.13,;-9.83,2.13,;-10.6,3.47,;-12.14,3.47,;-12.91,4.8,;-12.14,6.13,;-12.91,7.47,;-14.45,7.47,;-15.22,6.13,;-14.45,4.8,;-7.52,.8,;-5.98,.8,;3.26,.8,;4.03,-.54,;4.03,-2.08,;5.36,-2.85,;5.36,-4.39,;4.03,-5.16,;4.03,-6.7,;5.36,-7.47,;6.69,-6.7,;8.16,-7.17,;9.06,-5.93,;8.16,-4.68,;8.56,-3.19,;7.47,-2.1,;5.98,-2.5,;7.87,-.62,;6.78,.47,;9.35,-.22,;9.75,1.27,;10.44,-1.31,;11.93,-.91,;10.04,-2.79,;11.13,-3.88,;6.69,-5.16,;10.6,-5.93,;11.37,-7.26,;12.91,-7.26,;13.68,-5.93,;15.22,-5.93,;12.91,-4.59,;11.37,-4.59,;2.69,-2.85,;1.36,-2.08,;2.69,-4.39,;4.03,2.13,;10.95,5.73,;12.44,6.13,)| 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
| 0.0220 | 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)) | BDBM451140
(US10676485, Example 50)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:38.74,6.5,21.21,24.25,wD:28.28,(15.01,5.44,;13.52,5.04,;13.13,3.55,;11.64,3.16,;10.55,4.24,;9.06,3.85,;8.66,2.36,;7.18,1.96,;4.03,4.8,;3.26,3.47,;1.72,3.47,;.95,2.13,;1.72,.8,;.95,-.54,;-.59,-.54,;-1.36,.8,;-.59,2.13,;-1.36,3.47,;-2.9,3.47,;-3.67,2.13,;-2.9,.8,;-5.21,2.13,;-5.98,3.47,;-7.52,3.47,;-8.29,2.13,;-9.83,2.13,;-10.6,3.47,;-12.14,3.47,;-12.91,4.8,;-12.14,6.13,;-12.91,7.47,;-14.45,7.47,;-15.22,6.13,;-14.45,4.8,;-7.52,.8,;-5.98,.8,;3.26,.8,;4.03,-.54,;4.03,-2.08,;5.36,-2.85,;5.36,-4.39,;4.03,-5.16,;4.03,-6.7,;5.36,-7.47,;6.69,-6.7,;8.16,-7.17,;9.06,-5.93,;8.16,-4.68,;8.56,-3.19,;7.47,-2.1,;5.98,-2.5,;7.87,-.62,;6.78,.47,;9.35,-.22,;9.75,1.27,;10.44,-1.31,;11.93,-.91,;10.04,-2.79,;11.13,-3.88,;6.69,-5.16,;10.6,-5.93,;11.37,-7.26,;12.91,-7.26,;13.68,-5.93,;15.22,-5.93,;12.91,-4.59,;11.37,-4.59,;2.69,-2.85,;1.36,-2.08,;2.69,-4.39,;4.03,2.13,;10.95,5.73,;12.44,6.13,)| 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
| 0.249 | 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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