Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM429187' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/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)) | BDBM429187
(US10533010, Example I-318 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NC1CCN(CC1)C(=O)CC(O)=O |(-3.76,5.31,;-5.09,6.08,;-5.57,7.54,;-7.11,7.54,;-7.88,8.88,;-7.58,6.08,;-8.92,5.31,;-6.34,5.17,;-6.34,3.63,;-7.67,2.86,;-7.67,1.32,;-6.34,.55,;-5,1.32,;-3.54,.85,;-3.14,-.64,;-1.65,-1.04,;-1.25,-2.53,;.23,-2.93,;.63,-4.41,;2.12,-4.81,;2.52,-6.3,;4.01,-6.7,;1.43,-7.39,;1.83,-8.88,;-.06,-6.99,;-1.15,-8.08,;-.46,-5.5,;-2.63,2.09,;-3.54,3.34,;-5,2.86,;-1.09,2.09,;-.32,.76,;-.32,3.43,;1.22,3.43,;1.99,2.09,;3.53,2.09,;4.3,3.43,;3.53,4.76,;1.99,4.76,;5.84,3.43,;6.61,4.76,;6.61,2.09,;8.15,2.09,;8.92,.76,;8.92,3.43,)| Show InChI InChI=1S/C34H40ClN5O5/c1-19-16-24(17-20(2)31(19)35)45-15-7-10-26-25-8-6-9-27(30-21(3)38-39(5)22(30)4)32(25)37-33(26)34(44)36-23-11-13-40(14-12-23)28(41)18-29(42)43/h6,8-9,16-17,23,37H,7,10-15,18H2,1-5H3,(H,36,44)(H,42,43) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| KEGG
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)) | BDBM429187
(US10533010, Example I-318 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NC1CCN(CC1)C(=O)CC(O)=O |(-3.76,5.31,;-5.09,6.08,;-5.57,7.54,;-7.11,7.54,;-7.88,8.88,;-7.58,6.08,;-8.92,5.31,;-6.34,5.17,;-6.34,3.63,;-7.67,2.86,;-7.67,1.32,;-6.34,.55,;-5,1.32,;-3.54,.85,;-3.14,-.64,;-1.65,-1.04,;-1.25,-2.53,;.23,-2.93,;.63,-4.41,;2.12,-4.81,;2.52,-6.3,;4.01,-6.7,;1.43,-7.39,;1.83,-8.88,;-.06,-6.99,;-1.15,-8.08,;-.46,-5.5,;-2.63,2.09,;-3.54,3.34,;-5,2.86,;-1.09,2.09,;-.32,.76,;-.32,3.43,;1.22,3.43,;1.99,2.09,;3.53,2.09,;4.3,3.43,;3.53,4.76,;1.99,4.76,;5.84,3.43,;6.61,4.76,;6.61,2.09,;8.15,2.09,;8.92,.76,;8.92,3.43,)| Show InChI InChI=1S/C34H40ClN5O5/c1-19-16-24(17-20(2)31(19)35)45-15-7-10-26-25-8-6-9-27(30-21(3)38-39(5)22(30)4)32(25)37-33(26)34(44)36-23-11-13-40(14-12-23)28(41)18-29(42)43/h6,8-9,16-17,23,37H,7,10-15,18H2,1-5H3,(H,36,44)(H,42,43) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
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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