Found 1588 hits with Last Name = 'ouvry' and Initial = 'g' 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 |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM577
((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116650 BindingDB Entry DOI: 10.7270/Q2CZ3C45 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50606735
(CHEMBL5219718 | US11731973, Example 3)Show SMILES CC1(Cn2nc(-c3ccc4oc(N)nc4c3F)c3c(N)nc(N)nc23)CCC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50589183
(CHEMBL5180158)Show SMILES CC(C)[C@@H]1CN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)S(=O)(=O)c2ccc(F)cc2C1 |r| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116650 BindingDB Entry DOI: 10.7270/Q2CZ3C45 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50606737
(CHEMBL5218727 | US11731973, Example 5)Show SMILES CC(C)C[C@H](C)n1nc(-c2ccc3oc(N)nc3c2F)c2c(N)nc(N)nc12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50606738
(CHEMBL5218590 | US11731973, Example 6)Show SMILES CCC(C)(C)Cn1nc(-c2ccc3oc(NC(C)=O)nc3c2)c2c(N)nc(N)nc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50606740
(CHEMBL5220536 | US11731973, Example 30)Show SMILES CC1(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)nc(N)nc23)CCC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50606739
(CHEMBL5220152 | US11731973, Example 7)Show SMILES CC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613740
(3-(2-aminobenzoxazol-5-yl)-1-(2,2- dimethylbutyl)-...)Show SMILES CCC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50606742
(CHEMBL5220948 | US11731973, Example 9)Show SMILES CC1(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)nc(N)nc23)CSC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613743
(1-(2,2-dimethylpropyl)-3-(2- ethylaminobenzoxazol-...)Show SMILES CCNc1nc2cc(ccc2o1)-c1nn(CC(C)(C)C)c2nc(N)nc(N)c12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50606736
(CHEMBL5218916 | US11731973, Example 10)Show SMILES CCC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2F)c2c(N)nc(N)nc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50606741
(CHEMBL5219710 | US11731973, Example 1)Show SMILES CC(C)C[C@H](C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613734
(3-(2-amino-6-fluorobenzoxazol-5-yl)- 1-((S)-1,3-di...)Show SMILES CC(C)C[C@H](C)n1nc(-c2cc3nc(N)oc3cc2F)c2c(N)nc(N)nc12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315477
(US10172858, Table 1.1 | US10172858, Table 1.22)Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nestl� Skin Health R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 ... |
ACS Med Chem Lett 10: 1561-1567 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00401 BindingDB Entry DOI: 10.7270/Q2P272KM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613745
((+)-3-(2-aminobenzoxazol-5-yl)-1- ((S)-2-methyl-2-...)Show SMILES CC(C)(Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12)[C@@H]1CCCO1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613744
(3-(2-aminobenzoxazol-5-yl)-1-(2,2- dimethylbut-3-e...)Show SMILES CC(C)(Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12)C=C | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613746
(3-(2-aminobenzoxazol-5-yl)-1-(2,2- dimethylbut-3-y...)Show SMILES CC(C)(Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12)C#C | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613736
(3-(2-amino-6-fluorobenzoxazol-5-yl)- 1-(1-methylcy...)Show SMILES CC1(Cn2nc(-c3cc4nc(N)oc4cc3F)c3c(N)nc(N)nc23)CCC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613748
(3-[4,6-diamino-3-(2- aminobenzoxazol-5-yl)pyrazolo...)Show SMILES CC(C)(CO)Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50534816
(CHEMBL4591500)Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2[C@@H](C)CN(C[C@H]2C)C(C)=O)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-19-17-32(21(3)35)18-20(2)33(19)15-16-37-24-7-5-22(6-8-24)23-11-13-31(14-12-23)26-10-9-25-28-29-27(36-4)34(25)30-26/h5-10,19-20,23H,11-18H2,1-4H3/t19-,20+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores... |
J Med Chem 59: 7801-17 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613749
(3-(2-aminobenzoxazol-5-yl)-1-(2- methyl-2-methylsu...)Show SMILES CSC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613750
(3-(2-amino-4-chlorobenzoxazol-5-yl)- 1-(2,2-dimeth...)Show SMILES CC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2Cl)c2c(N)nc(N)nc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM582476
(5-(2-aminobenzoxazol-5-yl)-7-isobutyl-7-methyl-6, ...)Show SMILES CC(C)C[C@]1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2XP78RQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613751
(3-(2-amino-6-methoxybenzoxazol-5- yl)-1-(2,2-dimet...)Show SMILES COc1cc2oc(N)nc2cc1-c1nn(CC(C)(C)C)c2nc(N)nc(N)c12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613752
(2-[4,6-diamino-1-(2,2- dimethylpropyl)-1H-pyrazolo...)Show SMILES CC(C)(C)Cn1nc(-c2cc3cc(O)cnc3[nH]2)c2c(N)nc(N)nc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM582489
(5-(2-aminobenzoxazol-5-yl)-7-isobutyl-7-methyl-6,7...)Show SMILES CC(C)CC1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1 |w:4.3| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2XP78RQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613753
(3-(2-amino-6-methoxybenzoxazol-5- yl)-1-(2,2-dimet...)Show SMILES CCC(C)(C)Cn1nc(-c2cc3nc(N)oc3cc2OC)c2c(N)nc(N)nc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50534829
(CHEMBL4447492)Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(CCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O2/c1-18-24(33)29(2)16-17-30(18)13-10-19-4-6-20(7-5-19)21-11-14-31(15-12-21)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,21H,10-17H2,1-3H3/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores... |
J Med Chem 59: 7801-17 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM582479
(5-(2-aminobenzoxazol-5-yl)-7-methyl-7-methylsulfan...) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2XP78RQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50529395
(CHEMBL4529672 | US11731973, Example 21)Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 Show InChI InChI=1S/C15H16N8O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H4,16,17,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613755
(3-(2-aminobenzoxazol-5-yl)-1-(2- ethyl-2-methanesu...)Show SMILES CCC(CC)(Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12)S(C)(=O)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50534814
(CHEMBL4466676)Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C26H35N7O3/c1-19-25(34)30(2)16-17-31(19)13-4-18-36-22-7-5-20(6-8-22)21-11-14-32(15-12-21)24-10-9-23-27-28-26(35-3)33(23)29-24/h5-10,19,21H,4,11-18H2,1-3H3/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores... |
J Med Chem 59: 7801-17 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50529395
(CHEMBL4529672 | US11731973, Example 21)Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 Show InChI InChI=1S/C15H16N8O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H4,16,17,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nestl� Skin Health R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 ... |
ACS Med Chem Lett 10: 1561-1567 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00401 BindingDB Entry DOI: 10.7270/Q2P272KM |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50260093
(CHEMBL4078100)Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores... |
J Med Chem 59: 7801-17 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50534827
(CHEMBL4460682)Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2C[C@H](C)N([C@H](C)C2)C(C)=O)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-19-17-31(18-20(2)33(19)21(3)35)15-16-37-24-7-5-22(6-8-24)23-11-13-32(14-12-23)26-10-9-25-28-29-27(36-4)34(25)30-26/h5-10,19-20,23H,11-18H2,1-4H3/t19-,20+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores... |
J Med Chem 59: 7801-17 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613756
(3-(2-aminobenzoxazol-5-yl)-4-chloro- 1-isobutyl-1H...)Show SMILES CC(C)Cn1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50529393
(CHEMBL4564479 | US11731973, Example 24)Show InChI InChI=1S/C15H15N7O/c1-7(2)22-13-9(6-18-14(16)20-13)12(21-22)8-3-4-11-10(5-8)19-15(17)23-11/h3-7H,1-2H3,(H2,17,19)(H2,16,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nestl� Skin Health R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 ... |
ACS Med Chem Lett 10: 1561-1567 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00401 BindingDB Entry DOI: 10.7270/Q2P272KM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50529393
(CHEMBL4564479 | US11731973, Example 24)Show InChI InChI=1S/C15H15N7O/c1-7(2)22-13-9(6-18-14(16)20-13)12(21-22)8-3-4-11-10(5-8)19-15(17)23-11/h3-7H,1-2H3,(H2,17,19)(H2,16,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50534823
(CHEMBL4593653)Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-20-26(35)31(2)17-18-32(20)14-4-5-19-37-23-8-6-21(7-9-23)22-12-15-33(16-13-22)25-11-10-24-28-29-27(36-3)34(24)30-25/h6-11,20,22H,4-5,12-19H2,1-3H3/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores... |
J Med Chem 59: 7801-17 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50534828
(CHEMBL4448398)Show SMILES C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(n3n2)C(F)(F)F)CCN(C)C1=O |r| Show InChI InChI=1S/C25H30F3N7O2/c1-17-23(36)32(2)13-14-33(17)15-16-37-20-5-3-18(4-6-20)19-9-11-34(12-10-19)22-8-7-21-29-30-24(25(26,27)28)35(21)31-22/h3-8,17,19H,9-16H2,1-2H3/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores... |
J Med Chem 59: 7801-17 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50534815
(CHEMBL4457035)Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2[C@H](C)CN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C26H35N7O3/c1-18-17-30(3)25(34)19(2)32(18)15-16-36-22-7-5-20(6-8-22)21-11-13-31(14-12-21)24-10-9-23-27-28-26(35-4)33(23)29-24/h5-10,18-19,21H,11-17H2,1-4H3/t18-,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores... |
J Med Chem 59: 7801-17 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM582490
(5-(2-aminobenzoxazol-5-yl)-7-methyl-7-methylsulfan...)Show SMILES CSC[C@@]1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2XP78RQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM613758
(3-(2-amino-6-chlorobenzoxazol-5-yl)- 1-((S)-1,2-di...)Show SMILES CC(C)[C@H](C)n1nc(-c2cc3nc(N)oc3cc2Cl)c2c(N)nc(N)nc12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM582482
(5-(2-aminobenzoxazol-5-yl)-7-methyl-7-propyl-6, 7-...) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2XP78RQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50534813
(CHEMBL4453435)Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(cc1)N1CC(CN2CCN(C)C(=O)[C@H]2C)C1 |r| Show InChI InChI=1S/C27H36N8O2/c1-19-26(36)31(2)14-15-33(19)16-20-17-34(18-20)23-6-4-21(5-7-23)22-10-12-32(13-11-22)25-9-8-24-28-29-27(37-3)35(24)30-25/h4-9,19-20,22H,10-18H2,1-3H3/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores... |
J Med Chem 59: 7801-17 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50529398
(CHEMBL4549761 | US11731973, Example 31)Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc12 Show InChI InChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26W9G6B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50529398
(CHEMBL4549761 | US11731973, Example 31)Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc12 Show InChI InChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nestl� Skin Health R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 ... |
ACS Med Chem Lett 10: 1561-1567 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00401 BindingDB Entry DOI: 10.7270/Q2P272KM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50529407
(CHEMBL4572049)Show SMILES CCCCn1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc12 Show InChI InChI=1S/C16H16ClN7O/c1-2-3-6-24-14-11(13(17)21-15(18)22-14)12(23-24)8-4-5-10-9(7-8)20-16(19)25-10/h4-5,7H,2-3,6H2,1H3,(H2,19,20)(H2,18,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nestl� Skin Health R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 ... |
ACS Med Chem Lett 10: 1561-1567 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00401 BindingDB Entry DOI: 10.7270/Q2P272KM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM582478
(5-(2-aminobenzoxazol-5-yl)-7-isobutyl-6, 7-dihydro...) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2XP78RQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50534819
(CHEMBL4470311)Show SMILES CSc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O2S/c1-18-24(33)29(2)14-15-30(18)16-17-34-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(35-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores... |
J Med Chem 59: 7801-17 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721 |
More data for this Ligand-Target Pair | |