Found 826 hits with Last Name = 'milton' and Initial = 'j' 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 |
|---|
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50396691
(CHEMBL449572 | US9271961, Jasmonic acid)Show InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AKR1C2 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867
BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C4
(Homo sapiens (Human)) | BDBM50396691
(CHEMBL449572 | US9271961, Jasmonic acid)Show InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AKR1C4 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867
BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human)) | BDBM50396691
(CHEMBL449572 | US9271961, Jasmonic acid)Show InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AKR1C1 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867
BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50396691
(CHEMBL449572 | US9271961, Jasmonic acid)Show InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 1.62E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AKR1C3 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867
BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652305
(US20240059675, Example 8)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652305
(US20240059675, Example 8)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652310
(US20240059675, Example 13)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nc(cn2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652310
(US20240059675, Example 13)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nc(cn2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652312
(US20240059675, Example 15)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nc(cn2c1)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652312
(US20240059675, Example 15)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nc(cn2c1)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652313
(US20240059675, Example 16)Show SMILES Cc1cc(C#N)c(N2CCC(F)(CC2)c2nncn2C)c(n1)-c1ccc(F)nc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652318
(US20240059675, Example 21)Show SMILES Cn1cc2cc(cnc2n1)-c1nccc(C#N)c1N1CCC(F)(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652324
(US20240059675, Example 26)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(OCC2CC2)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652324
(US20240059675, Example 26)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(OCC2CC2)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652363
(US20240059675, Example 32)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)c1ccc(F)cc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652363
(US20240059675, Example 32)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)c1ccc(F)cc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652300
(US20240059675, Example 4)Show SMILES CC(C)Oc1cc(cnc1F)-c1nccc(C#N)c1N1CCC(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50121212
(CHEMBL3622372)Show SMILES C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F |r| Show InChI InChI=1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of Vps34 (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652304
(US20240059675, Example 7)Show SMILES COc1cc(cnc1F)-c1nccc(C#N)c1N1CCC(F)(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652309
(US20240059675, Example 12)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nnc(n2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652309
(US20240059675, Example 12)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nnc(n2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652316
(US20240059675, Example 19)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cncc(c1)-n1cccn1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652326
(US20240059675, Example 28)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(OCC=C)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652327
(US20240059675, Example 29)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652328
(US20240059675, Example 30)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C1(CC1)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652328
(US20240059675, Example 30)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C1(CC1)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652330
(US20240059675, Example 31)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C1(C)CC(F)(F)C1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50197065
(CHEMBL3913354)Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50261349
(CHEMBL4073785)Show SMILES Cc1ccc2c(oc(nc2=O)N2CCOCC2)c1-c1cccc2c3ccccc3sc12 |(49.53,-8.74,;50.86,-9.51,;50.86,-11.06,;52.2,-11.83,;53.53,-11.05,;53.53,-9.5,;54.87,-8.73,;56.21,-9.51,;56.2,-11.06,;54.86,-11.82,;54.86,-13.37,;57.54,-8.74,;58.87,-9.52,;60.21,-8.76,;60.22,-7.22,;58.89,-6.44,;57.54,-7.2,;52.19,-8.74,;52.19,-7.2,;53.53,-6.42,;53.52,-4.88,;52.18,-4.13,;50.85,-4.9,;49.39,-4.44,;48.76,-3.04,;47.24,-2.89,;46.34,-4.14,;46.97,-5.53,;48.49,-5.68,;49.4,-6.92,;50.86,-6.44,)| Show InChI InChI=1S/C25H20N2O3S/c1-15-9-10-19-22(30-25(26-24(19)28)27-11-13-29-14-12-27)21(15)18-7-4-6-17-16-5-2-3-8-20(16)31-23(17)18/h2-10H,11-14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
La Trobe University
Curated by ChEMBL
| Assay Description
Inhibition of human DNA-PK catalytic subunit using DNA and [EPPLSQEAFADLWKK] peptide substrate by HTRF assay |
Bioorg Med Chem 25: 5531-5536 (2017)
Article DOI: 10.1016/j.bmc.2017.08.022
BindingDB Entry DOI: 10.7270/Q27D2XKG |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50261349
(CHEMBL4073785)Show SMILES Cc1ccc2c(oc(nc2=O)N2CCOCC2)c1-c1cccc2c3ccccc3sc12 |(49.53,-8.74,;50.86,-9.51,;50.86,-11.06,;52.2,-11.83,;53.53,-11.05,;53.53,-9.5,;54.87,-8.73,;56.21,-9.51,;56.2,-11.06,;54.86,-11.82,;54.86,-13.37,;57.54,-8.74,;58.87,-9.52,;60.21,-8.76,;60.22,-7.22,;58.89,-6.44,;57.54,-7.2,;52.19,-8.74,;52.19,-7.2,;53.53,-6.42,;53.52,-4.88,;52.18,-4.13,;50.85,-4.9,;49.39,-4.44,;48.76,-3.04,;47.24,-2.89,;46.34,-4.14,;46.97,-5.53,;48.49,-5.68,;49.4,-6.92,;50.86,-6.44,)| Show InChI InChI=1S/C25H20N2O3S/c1-15-9-10-19-22(30-25(26-24(19)28)27-11-13-29-14-12-27)21(15)18-7-4-6-17-16-5-2-3-8-20(16)31-23(17)18/h2-10H,11-14H2,1H3 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
La Trobe University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK in human HeLa nuclear extracts incubated for 40 mins using calf thymus DNA and fluoroscein-p53[Ser15]-peptide by Lanthascreen ti... |
Bioorg Med Chem 25: 5531-5536 (2017)
Article DOI: 10.1016/j.bmc.2017.08.022
BindingDB Entry DOI: 10.7270/Q27D2XKG |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652297
(US20240059675, Example 1)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652298
(US20240059675, Example 2)Show SMILES Cn1cnnc1C1CCN(CC1)c1c(ccnc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652299
(US20240059675, Example 3)Show SMILES Cn1cnnc1C1(C)CCN(CC1)c1c(ccnc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652299
(US20240059675, Example 3)Show SMILES Cn1cnnc1C1(C)CCN(CC1)c1c(ccnc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652301
(US20240059675, Example 5)Show SMILES COc1cc(cnc1F)-c1nccc(C#N)c1N1CCC(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652303
(US20240059675, Example 6)Show SMILES Cc1cc(cnc1F)-c1nccc(C#N)c1N1CCC(F)(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR using substrate PI incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50042923
(CHEMBL3354566)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C2(CC2)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Inhibition of human mTOR by non-radiometric ADP-Glo assay |
ACS Med Chem Lett 6: 3-6 (2015)
Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB
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CHEMBL
MCE
MMDB
PC cid
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PDB
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Inhibition of human DNA-PK by non-radiometric ADP-Glo assay |
ACS Med Chem Lett 6: 3-6 (2015)
Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652318
(US20240059675, Example 21)Show SMILES Cn1cc2cc(cnc2n1)-c1nccc(C#N)c1N1CCC(F)(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652319
(US20240059675, Example 22)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1ccnnc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652325
(US20240059675, Example 27)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(OC2CC2)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652326
(US20240059675, Example 28)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(OCC=C)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652327
(US20240059675, Example 29)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652330
(US20240059675, Example 31)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C1(C)CC(F)(F)C1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50123628
(CHEMBL3622730)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using fluorometric substrate measu... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02161
BindingDB Entry DOI: 10.7270/Q2W3816V |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652306
(US20240059675, Example 9)Show SMILES Cn1cnnc1C1CCN(CC1)c1c(nccc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652307
(US20240059675, Example 10)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(nccc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652313
(US20240059675, Example 16)Show SMILES Cc1cc(C#N)c(N2CCC(F)(CC2)c2nncn2C)c(n1)-c1ccc(F)nc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652314
(US20240059675, Example 17)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(cc(nc1-c1ccc(F)nc1)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
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