Found 4 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM429090' 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)) | BDBM429090
(US10533010, Example I-188 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)Nc3cccc(c3)C(O)=O)n(C)c12 |(-2.17,5.31,;-3.51,6.08,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-4.75,5.17,;-4.75,3.63,;-6.09,2.86,;-7.42,3.63,;-6.09,1.32,;-4.75,.55,;-3.42,1.32,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-1.05,2.09,;.49,2.09,;1.26,.76,;1.26,3.43,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,;-1.95,3.34,;-1.18,4.67,;-3.42,2.86,)| Show InChI InChI=1S/C34H34Cl2N4O4/c1-18-15-24(16-19(2)30(18)36)44-14-8-11-25-26-12-13-27(35)29(28-20(3)38-40(6)21(28)4)31(26)39(5)32(25)33(41)37-23-10-7-9-22(17-23)34(42)43/h7,9-10,12-13,15-17H,8,11,14H2,1-6H3,(H,37,41)(H,42,43) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| <7 | 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429090
(US10533010, Example I-188 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)Nc3cccc(c3)C(O)=O)n(C)c12 |(-2.17,5.31,;-3.51,6.08,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-4.75,5.17,;-4.75,3.63,;-6.09,2.86,;-7.42,3.63,;-6.09,1.32,;-4.75,.55,;-3.42,1.32,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-1.05,2.09,;.49,2.09,;1.26,.76,;1.26,3.43,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,;-1.95,3.34,;-1.18,4.67,;-3.42,2.86,)| Show InChI InChI=1S/C34H34Cl2N4O4/c1-18-15-24(16-19(2)30(18)36)44-14-8-11-25-26-12-13-27(35)29(28-20(3)38-40(6)21(28)4)31(26)39(5)32(25)33(41)37-23-10-7-9-22(17-23)34(42)43/h7,9-10,12-13,15-17H,8,11,14H2,1-6H3,(H,37,41)(H,42,43) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <7 | 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)) | BDBM429090
(US10533010, Example I-188 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)Nc3cccc(c3)C(O)=O)n(C)c12 |(-2.17,5.31,;-3.51,6.08,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-4.75,5.17,;-4.75,3.63,;-6.09,2.86,;-7.42,3.63,;-6.09,1.32,;-4.75,.55,;-3.42,1.32,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-1.05,2.09,;.49,2.09,;1.26,.76,;1.26,3.43,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,;-1.95,3.34,;-1.18,4.67,;-3.42,2.86,)| Show InChI InChI=1S/C34H34Cl2N4O4/c1-18-15-24(16-19(2)30(18)36)44-14-8-11-25-26-12-13-27(35)29(28-20(3)38-40(6)21(28)4)31(26)39(5)32(25)33(41)37-23-10-7-9-22(17-23)34(42)43/h7,9-10,12-13,15-17H,8,11,14H2,1-6H3,(H,37,41)(H,42,43) | 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)) | BDBM429090
(US10533010, Example I-188 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)Nc3cccc(c3)C(O)=O)n(C)c12 |(-2.17,5.31,;-3.51,6.08,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-4.75,5.17,;-4.75,3.63,;-6.09,2.86,;-7.42,3.63,;-6.09,1.32,;-4.75,.55,;-3.42,1.32,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-1.05,2.09,;.49,2.09,;1.26,.76,;1.26,3.43,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,;-1.95,3.34,;-1.18,4.67,;-3.42,2.86,)| Show InChI InChI=1S/C34H34Cl2N4O4/c1-18-15-24(16-19(2)30(18)36)44-14-8-11-25-26-12-13-27(35)29(28-20(3)38-40(6)21(28)4)31(26)39(5)32(25)33(41)37-23-10-7-9-22(17-23)34(42)43/h7,9-10,12-13,15-17H,8,11,14H2,1-6H3,(H,37,41)(H,42,43) | 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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