Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50045660 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 |
|---|
Protein Wnt-3a
(Homo sapiens (Human)) | BDBM50073190
(CHEMBL3408213 | US11471446, Compound DBA-11)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30) | PDB
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| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of ligand-induced WNT3A signaling in human PA-1 cells harboring TCF preincubated for 6 hrs before ligand addition measured after 24 hrs by... |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50073190
(CHEMBL3408213 | US11471446, Compound DBA-11)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30) | PDB
MMDB
NCI pathway
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 462 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of GSK3alpha (unknown origin) |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50073190
(CHEMBL3408213 | US11471446, Compound DBA-11)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
MCE
PC cid
PC sid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta (unknown origin) |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50073188
(CHEMBL3408192)Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50073188
(CHEMBL3408192)Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50073187
(CHEMBL1673059)Show InChI InChI=1S/C11H13Cl2N3O/c12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17/h5-7H,1-4H2,(H2,14,17) | PDB
MMDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50073189
(CHEMBL3408214)Show SMILES Clc1cncc(-c2ccc3cnccc3c2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C22H21ClN4O/c23-19-14-25-13-18(16-1-2-17-12-24-7-3-15(17)11-16)20(19)27-9-5-22(6-10-27)4-8-26-21(22)28/h1-3,7,11-14H,4-6,8-10H2,(H,26,28) | PDB
MMDB
Reactome pathway
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UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50073190
(CHEMBL3408213 | US11471446, Compound DBA-11)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 aa) (unknown origin) after 90 mins by HTRF assay |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50073187
(CHEMBL1673059)Show InChI InChI=1S/C11H13Cl2N3O/c12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17/h5-7H,1-4H2,(H2,14,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50073190
(CHEMBL3408213 | US11471446, Compound DBA-11)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
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UniChem
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| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged TNKS2 (873 to 1166 aa) (unknown origin) after 90 mins by HTRF assay |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50073188
(CHEMBL3408192)Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged TNKS2 (873 to 1166 aa) (unknown origin) after 90 mins by HTRF assay |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50073188
(CHEMBL3408192)Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 aa) (unknown origin) after 90 mins by HTRF assay |
J Med Chem 58: 1717-35 (2015)
Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2 |
More data for this
Ligand-Target Pair | |
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