Found 2 hits for monomerid = 449559 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 [171-327]
(Homo sapiens (Human)) | BDBM449559
(US10703733, Example 172 | US10988451, Example 172)Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2C[C@](C)(O)C2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,wU:9.8,30.31,15.14,17.17,wD:2.1,47.49,44.47,6.6,9.10,17.18,t:3,(-.39,6.42,;1.1,6.03,;1.5,4.54,;.41,3.45,;-1.08,3.85,;-2.17,2.76,;-1.77,1.27,;-.28,1.67,;-2.86,.18,;-2.46,-1.3,;-2.06,-2.79,;-3.79,-2.07,;-5.13,-1.3,;-5.13,.24,;-6.46,-2.07,;-7.8,-1.3,;-9.28,-1.7,;-9.68,-.22,;-11.17,-.61,;-10.45,1.12,;-8.19,.18,;-.97,-1.7,;.12,-.61,;-.28,.87,;1.6,-1.01,;2,-2.5,;3.49,-2.9,;4.4,-1.88,;5.64,-2.89,;7.12,-2.6,;7.84,-1.24,;8.55,.13,;10.09,.2,;10.92,-1.1,;10.21,-2.46,;11.04,-3.76,;10.34,-5.13,;11.17,-6.42,;8.8,-5.2,;7.97,-3.9,;8.68,-2.54,;7.12,.17,;5.64,.57,;5.14,2.2,;3.53,2.62,;2.18,1.83,;1.78,3.32,;3.13,4.1,;4.22,-.4,;2.69,.08,)| Show InChI InChI=1S/C38H49ClN4O6S/c1-24-6-4-8-33(48-3)30-12-9-27(30)20-43-22-38(15-5-7-25-16-28(39)11-13-31(25)38)23-49-34-14-10-26(17-32(34)43)35(44)41-50(47,21-24)42-36(45)40-29-18-37(2,46)19-29/h4,8,10-11,13-14,16-17,24,27,29-30,33,46H,5-7,9,12,15,18-23H2,1-3H3,(H2,40,41,42,44,45,47)/b8-4+/t24-,27-,29-,30+,33-,37-,38-,50-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
US Patent
| Assay Description
The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17... |
US Patent US10988451 (2021)
|
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]
(Homo sapiens (Human)) | BDBM449559
(US10703733, Example 172 | US10988451, Example 172)Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2C[C@](C)(O)C2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,wU:9.8,30.31,15.14,17.17,wD:2.1,47.49,44.47,6.6,9.10,17.18,t:3,(-.39,6.42,;1.1,6.03,;1.5,4.54,;.41,3.45,;-1.08,3.85,;-2.17,2.76,;-1.77,1.27,;-.28,1.67,;-2.86,.18,;-2.46,-1.3,;-2.06,-2.79,;-3.79,-2.07,;-5.13,-1.3,;-5.13,.24,;-6.46,-2.07,;-7.8,-1.3,;-9.28,-1.7,;-9.68,-.22,;-11.17,-.61,;-10.45,1.12,;-8.19,.18,;-.97,-1.7,;.12,-.61,;-.28,.87,;1.6,-1.01,;2,-2.5,;3.49,-2.9,;4.4,-1.88,;5.64,-2.89,;7.12,-2.6,;7.84,-1.24,;8.55,.13,;10.09,.2,;10.92,-1.1,;10.21,-2.46,;11.04,-3.76,;10.34,-5.13,;11.17,-6.42,;8.8,-5.2,;7.97,-3.9,;8.68,-2.54,;7.12,.17,;5.64,.57,;5.14,2.2,;3.53,2.62,;2.18,1.83,;1.78,3.32,;3.13,4.1,;4.22,-.4,;2.69,.08,)| Show InChI InChI=1S/C38H49ClN4O6S/c1-24-6-4-8-33(48-3)30-12-9-27(30)20-43-22-38(15-5-7-25-16-28(39)11-13-31(25)38)23-49-34-14-10-26(17-32(34)43)35(44)41-50(47,21-24)42-36(45)40-29-18-37(2,46)19-29/h4,8,10-11,13-14,16-17,24,27,29-30,33,46H,5-7,9,12,15,18-23H2,1-3H3,(H2,40,41,42,44,45,47)/b8-4+/t24-,27-,29-,30+,33-,37-,38-,50-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
US Patent
| Assay Description
The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171... |
US Patent US10703733 (2020)
|
More data for this
Ligand-Target Pair | |
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