Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM429165' 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)) | BDBM429165
(US10533010, Example I-290 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCC(=O)NCC(O)=O |(-2.6,5.31,;-3.94,6.08,;-4.41,7.54,;-5.95,7.54,;-6.72,8.88,;-6.43,6.08,;-7.76,5.31,;-5.18,5.17,;-5.18,3.63,;-6.52,2.86,;-6.52,1.32,;-5.18,.55,;-3.85,1.32,;-2.38,.85,;-1.99,-.64,;-.5,-1.04,;-.1,-2.53,;1.39,-2.93,;1.79,-4.41,;3.27,-4.81,;3.67,-6.3,;5.16,-6.7,;2.58,-7.39,;2.98,-8.88,;1.1,-6.99,;.01,-8.08,;.7,-5.5,;-1.48,2.09,;-2.38,3.34,;-3.85,2.86,;.06,2.09,;.83,.76,;.83,3.43,;2.37,3.43,;3.14,4.76,;2.37,6.09,;4.68,4.76,;5.45,6.09,;6.99,6.09,;7.76,4.76,;7.76,7.43,)| Show InChI InChI=1S/C30H34ClN5O5/c1-16-12-20(13-17(2)27(16)31)41-11-7-10-22-21-8-6-9-23(26-18(3)35-36(5)19(26)4)28(21)34-29(22)30(40)33-14-24(37)32-15-25(38)39/h6,8-9,12-13,34H,7,10-11,14-15H2,1-5H3,(H,32,37)(H,33,40)(H,38,39) | 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)) | BDBM429165
(US10533010, Example I-290 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCC(=O)NCC(O)=O |(-2.6,5.31,;-3.94,6.08,;-4.41,7.54,;-5.95,7.54,;-6.72,8.88,;-6.43,6.08,;-7.76,5.31,;-5.18,5.17,;-5.18,3.63,;-6.52,2.86,;-6.52,1.32,;-5.18,.55,;-3.85,1.32,;-2.38,.85,;-1.99,-.64,;-.5,-1.04,;-.1,-2.53,;1.39,-2.93,;1.79,-4.41,;3.27,-4.81,;3.67,-6.3,;5.16,-6.7,;2.58,-7.39,;2.98,-8.88,;1.1,-6.99,;.01,-8.08,;.7,-5.5,;-1.48,2.09,;-2.38,3.34,;-3.85,2.86,;.06,2.09,;.83,.76,;.83,3.43,;2.37,3.43,;3.14,4.76,;2.37,6.09,;4.68,4.76,;5.45,6.09,;6.99,6.09,;7.76,4.76,;7.76,7.43,)| Show InChI InChI=1S/C30H34ClN5O5/c1-16-12-20(13-17(2)27(16)31)41-11-7-10-22-21-8-6-9-23(26-18(3)35-36(5)19(26)4)28(21)34-29(22)30(40)33-14-24(37)32-15-25(38)39/h6,8-9,12-13,34H,7,10-11,14-15H2,1-5H3,(H,32,37)(H,33,40)(H,38,39) | 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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