Found 2 hits for monomerid = 451119 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)) | BDBM451119
(US10676485, Example 29)Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCCO4)c(C[C@@H](Oc4ncnc5sc(C6CCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1 |r,wU:6.5,37.70,21.21,wD:24.28,(14.99,1.32,;13.5,1.72,;12.41,.63,;10.92,1.03,;10.53,2.52,;9.04,2.91,;7.95,1.82,;4.93,3.66,;3.39,3.66,;2.62,2.33,;1.08,2.33,;.31,.99,;1.08,-.34,;-.41,-.74,;-1.89,-.34,;-2.29,1.15,;-1.2,2.24,;-1.6,3.72,;-3.09,4.12,;-4.18,3.03,;-3.78,1.54,;-5.67,3.43,;-6.75,2.34,;-8.24,2.74,;-8.64,4.23,;-7.55,5.32,;-6.06,4.92,;-10.13,4.63,;-10.53,6.11,;-12.01,6.51,;-12.41,8,;-13.9,8.4,;-14.99,7.31,;-14.59,5.82,;-13.1,5.42,;2.62,-.34,;3.39,-1.68,;2.62,-3.01,;3.96,-3.78,;3.96,-5.32,;2.62,-6.09,;2.62,-7.63,;3.96,-8.4,;5.29,-7.63,;6.75,-8.1,;7.66,-6.86,;9.2,-6.86,;10.29,-7.95,;11.38,-6.86,;10.29,-5.77,;6.75,-5.61,;7.15,-4.13,;6.06,-3.04,;5.29,-4.37,;6.46,-1.55,;5.37,-.46,;7.95,-1.15,;8.35,.34,;9.04,-2.24,;10.53,-1.84,;8.64,-3.73,;9.73,-4.82,;5.29,-6.09,;1.29,-3.78,;-.05,-3.01,;1.29,-5.32,;3.39,.99,;11.62,3.6,;13.1,3.21,)| Show InChI InChI=1S/C51H60Cl2N6O9S/c1-29-41-30(2)45(53)46(44(29)52)67-37(23-59-17-15-58(3)16-18-59)26-65-36-11-12-39(66-24-34-13-14-54-48(57-34)32-7-9-35(10-8-32)64-27-38-25-62-19-20-63-38)33(21-36)22-40(51(60)61)68-49-43-42(41)47(31-5-4-6-31)69-50(43)56-28-55-49/h11-14,21,28,31-32,35,37-38,40H,4-10,15-20,22-27H2,1-3H3,(H,60,61)/t32-,35-,37-,38?,40-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 0.0110 | 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)) | BDBM451119
(US10676485, Example 29)Show SMILES CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCCO4)c(C[C@@H](Oc4ncnc5sc(C6CCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1 |r,wU:6.5,37.70,21.21,wD:24.28,(14.99,1.32,;13.5,1.72,;12.41,.63,;10.92,1.03,;10.53,2.52,;9.04,2.91,;7.95,1.82,;4.93,3.66,;3.39,3.66,;2.62,2.33,;1.08,2.33,;.31,.99,;1.08,-.34,;-.41,-.74,;-1.89,-.34,;-2.29,1.15,;-1.2,2.24,;-1.6,3.72,;-3.09,4.12,;-4.18,3.03,;-3.78,1.54,;-5.67,3.43,;-6.75,2.34,;-8.24,2.74,;-8.64,4.23,;-7.55,5.32,;-6.06,4.92,;-10.13,4.63,;-10.53,6.11,;-12.01,6.51,;-12.41,8,;-13.9,8.4,;-14.99,7.31,;-14.59,5.82,;-13.1,5.42,;2.62,-.34,;3.39,-1.68,;2.62,-3.01,;3.96,-3.78,;3.96,-5.32,;2.62,-6.09,;2.62,-7.63,;3.96,-8.4,;5.29,-7.63,;6.75,-8.1,;7.66,-6.86,;9.2,-6.86,;10.29,-7.95,;11.38,-6.86,;10.29,-5.77,;6.75,-5.61,;7.15,-4.13,;6.06,-3.04,;5.29,-4.37,;6.46,-1.55,;5.37,-.46,;7.95,-1.15,;8.35,.34,;9.04,-2.24,;10.53,-1.84,;8.64,-3.73,;9.73,-4.82,;5.29,-6.09,;1.29,-3.78,;-.05,-3.01,;1.29,-5.32,;3.39,.99,;11.62,3.6,;13.1,3.21,)| Show InChI InChI=1S/C51H60Cl2N6O9S/c1-29-41-30(2)45(53)46(44(29)52)67-37(23-59-17-15-58(3)16-18-59)26-65-36-11-12-39(66-24-34-13-14-54-48(57-34)32-7-9-35(10-8-32)64-27-38-25-62-19-20-63-38)33(21-36)22-40(51(60)61)68-49-43-42(41)47(31-5-4-6-31)69-50(43)56-28-55-49/h11-14,21,28,31-32,35,37-38,40H,4-10,15-20,22-27H2,1-3H3,(H,60,61)/t32-,35-,37-,38?,40-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.550 | 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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