Found 4 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM429072' 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)) | BDBM429072
(US10533010, Example I-170 | US11208415, Example I-...)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2n(C)ccc12)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.03,4.99,;5.51,6.46,;6.84,7.23,;4.26,7.36,;3.02,6.46,;3.49,4.99,;5.8,.99,;5.03,-.34,;7.34,.99,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-10-11-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)19-45(38(47)37(27)46)32-18-25(39(48)49)17-31-29(32)12-13-43(31)6/h10-13,15-18,22H,8-9,14,19H2,1-7H3,(H,48,49)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay |
J Med Chem 62: 3971-3988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01991
BindingDB Entry DOI: 10.7270/Q2V69P04 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429072
(US10533010, Example I-170 | US11208415, Example I-...)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2n(C)ccc12)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.03,4.99,;5.51,6.46,;6.84,7.23,;4.26,7.36,;3.02,6.46,;3.49,4.99,;5.8,.99,;5.03,-.34,;7.34,.99,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-10-11-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)19-45(38(47)37(27)46)32-18-25(39(48)49)17-31-29(32)12-13-43(31)6/h10-13,15-18,22H,8-9,14,19H2,1-7H3,(H,48,49)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs in presence of 1% fetal bovine serum by TR-FR... |
J Med Chem 62: 3971-3988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01991
BindingDB Entry DOI: 10.7270/Q2V69P04 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429072
(US10533010, Example I-170 | US11208415, Example I-...)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2n(C)ccc12)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.03,4.99,;5.51,6.46,;6.84,7.23,;4.26,7.36,;3.02,6.46,;3.49,4.99,;5.8,.99,;5.03,-.34,;7.34,.99,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-10-11-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)19-45(38(47)37(27)46)32-18-25(39(48)49)17-31-29(32)12-13-43(31)6/h10-13,15-18,22H,8-9,14,19H2,1-7H3,(H,48,49)/t22-/m1/s1 | 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429072
(US10533010, Example I-170 | US11208415, Example I-...)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2n(C)ccc12)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.03,4.99,;5.51,6.46,;6.84,7.23,;4.26,7.36,;3.02,6.46,;3.49,4.99,;5.8,.99,;5.03,-.34,;7.34,.99,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-10-11-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)19-45(38(47)37(27)46)32-18-25(39(48)49)17-31-29(32)12-13-43(31)6/h10-13,15-18,22H,8-9,14,19H2,1-7H3,(H,48,49)/t22-/m1/s1 | 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 | |
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