Found 2 hits for monomerid = 428980 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)) | BDBM428980
(US10533010, Example I-35 | US11208415, Example I-3...)Show SMILES Cc1c(c(CN2CCCC2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(=O)NS(=O)(=O)c1ccccc1C#N |(7.07,7.29,;5.61,7.77,;4.36,6.86,;3.11,7.77,;1.65,7.29,;.51,8.32,;-1,8,;-1.77,9.34,;-.74,10.48,;.67,9.85,;3.59,9.23,;5.13,9.23,;6.04,10.48,;4.36,5.32,;5.69,4.55,;5.69,3.01,;4.36,2.24,;3.03,3.01,;1.56,2.54,;1.09,1.07,;2.12,-.07,;1.64,-1.54,;2.67,-2.68,;2.2,-4.15,;3.23,-5.29,;2.75,-6.75,;3.78,-7.9,;1.24,-7.07,;.77,-8.54,;.21,-5.93,;-1.29,-6.25,;.69,-4.47,;.66,3.78,;1.56,5.03,;3.03,4.55,;-.88,3.78,;-1.65,5.12,;-1.65,2.45,;-3.19,2.45,;-3.96,1.12,;-3.19,-.22,;-3.96,-1.55,;-5.5,-1.55,;-6.27,-.22,;-5.5,1.12,;-7.81,-.22,;-8.58,1.12,;-8.58,-1.55,;-10.12,-1.55,;-10.12,-.01,;-10.12,-3.09,;-11.66,-1.55,;-12.43,-2.88,;-13.97,-2.88,;-14.74,-1.55,;-13.97,-.22,;-12.43,-.22,;-11.66,1.12,;-10.89,2.45,)| Show InChI InChI=1S/C45H46ClN7O5S/c1-28-22-34(23-29(2)41(28)46)58-21-11-17-36-35-15-10-16-37(40-30(3)52(4)50-38(40)27-53-19-7-8-20-53)42(35)49-43(36)45(55)48-26-31-12-9-14-32(24-31)44(54)51-59(56,57)39-18-6-5-13-33(39)25-47/h5-6,9-10,12-16,18,22-24,49H,7-8,11,17,19-21,26-27H2,1-4H3,(H,48,55)(H,51,54) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM428980
(US10533010, Example I-35 | US11208415, Example I-3...)Show SMILES Cc1c(c(CN2CCCC2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(=O)NS(=O)(=O)c1ccccc1C#N |(7.07,7.29,;5.61,7.77,;4.36,6.86,;3.11,7.77,;1.65,7.29,;.51,8.32,;-1,8,;-1.77,9.34,;-.74,10.48,;.67,9.85,;3.59,9.23,;5.13,9.23,;6.04,10.48,;4.36,5.32,;5.69,4.55,;5.69,3.01,;4.36,2.24,;3.03,3.01,;1.56,2.54,;1.09,1.07,;2.12,-.07,;1.64,-1.54,;2.67,-2.68,;2.2,-4.15,;3.23,-5.29,;2.75,-6.75,;3.78,-7.9,;1.24,-7.07,;.77,-8.54,;.21,-5.93,;-1.29,-6.25,;.69,-4.47,;.66,3.78,;1.56,5.03,;3.03,4.55,;-.88,3.78,;-1.65,5.12,;-1.65,2.45,;-3.19,2.45,;-3.96,1.12,;-3.19,-.22,;-3.96,-1.55,;-5.5,-1.55,;-6.27,-.22,;-5.5,1.12,;-7.81,-.22,;-8.58,1.12,;-8.58,-1.55,;-10.12,-1.55,;-10.12,-.01,;-10.12,-3.09,;-11.66,-1.55,;-12.43,-2.88,;-13.97,-2.88,;-14.74,-1.55,;-13.97,-.22,;-12.43,-.22,;-11.66,1.12,;-10.89,2.45,)| Show InChI InChI=1S/C45H46ClN7O5S/c1-28-22-34(23-29(2)41(28)46)58-21-11-17-36-35-15-10-16-37(40-30(3)52(4)50-38(40)27-53-19-7-8-20-53)42(35)49-43(36)45(55)48-26-31-12-9-14-32(24-31)44(54)51-59(56,57)39-18-6-5-13-33(39)25-47/h5-6,9-10,12-16,18,22-24,49H,7-8,11,17,19-21,26-27H2,1-4H3,(H,48,55)(H,51,54) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
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