Found 2 hits for monomerid = 451122 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)) | BDBM451122
(US10676485, Example 32)Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCCO4)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:37.71,6.5,21.21,wD:24.28,t:49,(15.12,6.11,;13.63,5.71,;13.23,4.22,;11.74,3.82,;10.66,4.91,;9.17,4.51,;8.77,3.03,;7.28,2.63,;4.13,5.47,;3.36,4.13,;1.82,4.13,;1.05,2.8,;1.82,1.47,;1.05,.13,;-.49,.13,;-1.26,1.47,;-.49,2.8,;-1.26,4.13,;-2.8,4.13,;-3.57,2.8,;-2.8,1.47,;-5.11,2.8,;-5.88,1.47,;-7.42,1.47,;-8.19,2.8,;-7.42,4.13,;-5.88,4.13,;-9.73,2.8,;-10.5,1.47,;-12.04,1.47,;-12.81,.13,;-14.35,.13,;-15.12,1.47,;-14.35,2.8,;-12.81,2.8,;3.36,1.47,;4.13,.13,;4.13,-1.41,;5.47,-2.18,;5.47,-3.72,;4.13,-4.49,;4.13,-6.03,;5.47,-6.8,;6.8,-6.03,;8.26,-6.5,;9.17,-5.26,;10.71,-5.26,;11.61,-4.01,;13.08,-4.49,;13.08,-6.03,;11.61,-6.5,;8.26,-4.01,;8.66,-2.53,;7.57,-1.44,;6.09,-1.04,;7.97,.05,;6.88,1.14,;9.46,.45,;9.86,1.94,;10.55,-.64,;12.04,-.24,;10.15,-2.13,;11.24,-3.22,;6.8,-4.49,;2.8,-2.18,;1.46,-1.41,;2.8,-3.72,;4.13,2.8,;11.05,6.4,;12.54,6.8,)| Show InChI InChI=1S/C52H60Cl2N6O9S/c1-30-42-31(2)46(54)47(45(30)53)68-38(24-60-18-16-59(3)17-19-60)27-66-37-12-13-40(67-25-35-14-15-55-49(58-35)33-8-10-36(11-9-33)65-28-39-26-63-20-21-64-39)34(22-37)23-41(52(61)62)69-50-44-43(42)48(32-6-4-5-7-32)70-51(44)57-29-56-50/h6,12-15,22,29,33,36,38-39,41H,4-5,7-11,16-21,23-28H2,1-3H3,(H,61,62)/t33-,36-,38-,39?,41-/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)) | BDBM451122
(US10676485, Example 32)Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCCO4)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:37.71,6.5,21.21,wD:24.28,t:49,(15.12,6.11,;13.63,5.71,;13.23,4.22,;11.74,3.82,;10.66,4.91,;9.17,4.51,;8.77,3.03,;7.28,2.63,;4.13,5.47,;3.36,4.13,;1.82,4.13,;1.05,2.8,;1.82,1.47,;1.05,.13,;-.49,.13,;-1.26,1.47,;-.49,2.8,;-1.26,4.13,;-2.8,4.13,;-3.57,2.8,;-2.8,1.47,;-5.11,2.8,;-5.88,1.47,;-7.42,1.47,;-8.19,2.8,;-7.42,4.13,;-5.88,4.13,;-9.73,2.8,;-10.5,1.47,;-12.04,1.47,;-12.81,.13,;-14.35,.13,;-15.12,1.47,;-14.35,2.8,;-12.81,2.8,;3.36,1.47,;4.13,.13,;4.13,-1.41,;5.47,-2.18,;5.47,-3.72,;4.13,-4.49,;4.13,-6.03,;5.47,-6.8,;6.8,-6.03,;8.26,-6.5,;9.17,-5.26,;10.71,-5.26,;11.61,-4.01,;13.08,-4.49,;13.08,-6.03,;11.61,-6.5,;8.26,-4.01,;8.66,-2.53,;7.57,-1.44,;6.09,-1.04,;7.97,.05,;6.88,1.14,;9.46,.45,;9.86,1.94,;10.55,-.64,;12.04,-.24,;10.15,-2.13,;11.24,-3.22,;6.8,-4.49,;2.8,-2.18,;1.46,-1.41,;2.8,-3.72,;4.13,2.8,;11.05,6.4,;12.54,6.8,)| Show InChI InChI=1S/C52H60Cl2N6O9S/c1-30-42-31(2)46(54)47(45(30)53)68-38(24-60-18-16-59(3)17-19-60)27-66-37-12-13-40(67-25-35-14-15-55-49(58-35)33-8-10-36(11-9-33)65-28-39-26-63-20-21-64-39)34(22-37)23-41(52(61)62)69-50-44-43(42)48(32-6-4-5-7-32)70-51(44)57-29-56-50/h6,12-15,22,29,33,36,38-39,41H,4-5,7-11,16-21,23-28H2,1-3H3,(H,61,62)/t33-,36-,38-,39?,41-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.270 | 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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