Found 24 hits of Enzyme Inhibition Constant Data 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 |
|---|
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243953
(CHEMBL4101340)Show SMILES Fc1cc2ncc3ncc(=O)n(C4CCN(CC#N)CC4)c3c2cc1-c1cn[nH]c1 Show InChI InChI=1S/C21H18FN7O/c22-17-8-18-16(7-15(17)13-9-26-27-10-13)21-19(11-24-18)25-12-20(30)29(21)14-1-4-28(5-2-14)6-3-23/h7-12,14H,1-2,4-6H2,(H,26,27) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243948
(CHEMBL4096248)Show SMILES O=c1cnc2cnc3ccc(cc3c2n1C1CCN(CC#N)CC1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C27H22N6O/c28-9-12-32-10-7-21(8-11-32)33-26(34)17-31-25-16-30-24-6-5-18(14-22(24)27(25)33)20-13-19-3-1-2-4-23(19)29-15-20/h1-6,13-17,21H,7-8,10-12H2 | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243924
(CHEMBL4075931)Show SMILES NC(=O)CN1CCC(CC1)n1c2c(cnc3ccc(cc23)-c2ccc(N)nc2)ncc1=O Show InChI InChI=1S/C23H23N7O2/c24-20-4-2-15(10-28-20)14-1-3-18-17(9-14)23-19(11-26-18)27-12-22(32)30(23)16-5-7-29(8-6-16)13-21(25)31/h1-4,9-12,16H,5-8,13H2,(H2,24,28)(H2,25,31) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243973
(CHEMBL4064699)Show SMILES COC(=O)CN1CCC(CC1)n1c2c(cnc3ccc(cc23)-c2ccc(N)nc2)ncc1=O Show InChI InChI=1S/C24H24N6O3/c1-33-23(32)14-29-8-6-17(7-9-29)30-22(31)13-27-20-12-26-19-4-2-15(10-18(19)24(20)30)16-3-5-21(25)28-11-16/h2-5,10-13,17H,6-9,14H2,1H3,(H2,25,28) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243960
(CHEMBL4083691)Show SMILES NC(=O)N1CCC(CC1)n1c2c(cnc3ccc(cc23)-c2ccc(N)nc2)ncc1=O Show InChI InChI=1S/C22H21N7O2/c23-19-4-2-14(10-27-19)13-1-3-17-16(9-13)21-18(11-25-17)26-12-20(30)29(21)15-5-7-28(8-6-15)22(24)31/h1-4,9-12,15H,5-8H2,(H2,23,27)(H2,24,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243950
(CHEMBL4079746)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ncc(=O)n(C4CCN(CC#N)CC4)c3c2c1 Show InChI InChI=1S/C23H21N7O/c24-7-10-29-8-5-17(6-9-29)30-22(31)14-27-20-13-26-19-3-1-15(11-18(19)23(20)30)16-2-4-21(25)28-12-16/h1-4,11-14,17H,5-6,8-10H2,(H2,25,28) | PDB
MMDB
NCI pathway
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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50243950
(CHEMBL4079746)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ncc(=O)n(C4CCN(CC#N)CC4)c3c2c1 Show InChI InChI=1S/C23H21N7O/c24-7-10-29-8-5-17(6-9-29)30-22(31)14-27-20-13-26-19-3-1-15(11-18(19)23(20)30)16-2-4-21(25)28-12-16/h1-4,11-14,17H,5-6,8-10H2,(H2,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human mTOR/FKBP12 |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243925
(CHEMBL4069422)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ncc(=O)n(C4CCN(CC#N)C4)c3c2c1 Show InChI InChI=1S/C22H19N7O/c23-6-8-28-7-5-16(13-28)29-21(30)12-26-19-11-25-18-3-1-14(9-17(18)22(19)29)15-2-4-20(24)27-10-15/h1-4,9-12,16H,5,7-8,13H2,(H2,24,27) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243974
(CHEMBL4096651)Show SMILES O=c1cnc2cnc3ccc(cc3c2n1C1CCN(CC#N)C1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C26H20N6O/c27-8-10-31-9-7-20(16-31)32-25(33)15-30-24-14-29-23-6-5-17(12-21(23)26(24)32)19-11-18-3-1-2-4-22(18)28-13-19/h1-6,11-15,20H,7,9-10,16H2 | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243954
(CHEMBL4084640)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ncc(=O)n(C4CCN(CC4)C=O)c3c2c1 Show InChI InChI=1S/C22H20N6O2/c23-20-4-2-15(10-26-20)14-1-3-18-17(9-14)22-19(11-24-18)25-12-21(30)28(22)16-5-7-27(13-29)8-6-16/h1-4,9-13,16H,5-8H2,(H2,23,26) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243952
(CHEMBL4083349)Show SMILES Cn1cc(cn1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21 Show InChI InChI=1S/C22H20FN7O/c1-28-13-14(10-27-28)16-8-17-19(9-18(16)23)25-11-20-22(17)30(21(31)12-26-20)15-2-5-29(6-3-15)7-4-24/h8-13,15H,2-3,5-7H2,1H3 | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50243950
(CHEMBL4079746)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ncc(=O)n(C4CCN(CC#N)CC4)c3c2c1 Show InChI InChI=1S/C23H21N7O/c24-7-10-29-8-5-17(6-9-29)30-22(31)14-27-20-13-26-19-3-1-15(11-18(19)23(20)30)16-2-4-21(25)28-12-16/h1-4,11-14,17H,5-6,8-10H2,(H2,25,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human DNA-PK |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243959
(CHEMBL4064318)Show SMILES Nc1ccc(cc1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21 Show InChI InChI=1S/C24H21FN6O/c25-20-12-21-19(11-18(20)15-1-3-16(27)4-2-15)24-22(13-28-21)29-14-23(32)31(24)17-5-8-30(9-6-17)10-7-26/h1-4,11-14,17H,5-6,8-10,27H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243951
(CHEMBL4066534)Show SMILES Nc1ccc(cn1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21 Show InChI InChI=1S/C23H20FN7O/c24-18-10-19-17(9-16(18)14-1-2-21(26)29-11-14)23-20(12-27-19)28-13-22(32)31(23)15-3-6-30(7-4-15)8-5-25/h1-2,9-13,15H,3-4,6-8H2,(H2,26,29) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243955
(CHEMBL4085859)Show SMILES COc1ccc(cn1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21 Show InChI InChI=1S/C24H21FN6O2/c1-33-22-3-2-15(12-29-22)17-10-18-20(11-19(17)25)27-13-21-24(18)31(23(32)14-28-21)16-4-7-30(8-5-16)9-6-26/h2-3,10-14,16H,4-5,7-9H2,1H3 | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243949
(CHEMBL4104010)Show SMILES Fc1cc2ncc3ncc(=O)n(C4CCN(CC#N)CC4)c3c2cc1-c1cnc2ccccc2c1 Show InChI InChI=1S/C27H21FN6O/c28-22-13-24-21(12-20(22)18-11-17-3-1-2-4-23(17)30-14-18)27-25(15-31-24)32-16-26(35)34(27)19-5-8-33(9-6-19)10-7-29/h1-4,11-16,19H,5-6,8-10H2 | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243958
(CHEMBL4060744)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ncc(=O)n([C@H]4CCCN(CC#N)C4)c3c2c1 |r| Show InChI InChI=1S/C23H21N7O/c24-7-9-29-8-1-2-17(14-29)30-22(31)13-27-20-12-26-19-5-3-15(10-18(19)23(20)30)16-4-6-21(25)28-11-16/h3-6,10-13,17H,1-2,8-9,14H2,(H2,25,28)/t17-/m0/s1 | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243923
(CHEMBL4076574)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ncc(=O)n(C4CCN(CCO)CC4)c3c2c1 Show InChI InChI=1S/C23H24N6O2/c24-21-4-2-16(12-27-21)15-1-3-19-18(11-15)23-20(13-25-19)26-14-22(31)29(23)17-5-7-28(8-6-17)9-10-30/h1-4,11-14,17,30H,5-10H2,(H2,24,27) | 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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243957
(CHEMBL4088957)Show SMILES O=c1cnc2cnc3ccc(cc3c2n1[C@H]1CCCN(CC#N)C1)-c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C27H22N6O/c28-9-11-32-10-3-5-21(17-32)33-26(34)16-31-25-15-30-24-8-7-18(13-22(24)27(25)33)20-12-19-4-1-2-6-23(19)29-14-20/h1-2,4,6-8,12-16,21H,3,5,10-11,17H2/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243922
(CHEMBL4093606)Show SMILES FC(F)n1cc(cn1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21 Show InChI InChI=1S/C22H18F3N7O/c23-17-8-18-16(7-15(17)13-9-29-31(12-13)22(24)25)21-19(10-27-18)28-11-20(33)32(21)14-1-4-30(5-2-14)6-3-26/h7-12,14,22H,1-2,4-6H2 | 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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243936
(CHEMBL4077990)Show SMILES COc1ccc(cc1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21 Show InChI InChI=1S/C25H22FN5O2/c1-33-18-4-2-16(3-5-18)19-12-20-22(13-21(19)26)28-14-23-25(20)31(24(32)15-29-23)17-6-9-30(10-7-17)11-8-27/h2-5,12-15,17H,6-7,9-11H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50243950
(CHEMBL4079746)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ncc(=O)n(C4CCN(CC#N)CC4)c3c2c1 Show InChI InChI=1S/C23H21N7O/c24-7-10-29-8-5-17(6-9-29)30-22(31)14-27-20-13-26-19-3-1-15(11-18(19)23(20)30)16-2-4-21(25)28-12-16/h1-4,11-14,17H,5-6,8-10H2,(H2,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human ATM |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243956
(CHEMBL4102252)Show SMILES Cc1ccc(cn1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21 Show InChI InChI=1S/C24H21FN6O/c1-15-2-3-16(12-27-15)18-10-19-21(11-20(18)25)28-13-22-24(19)31(23(32)14-29-22)17-4-7-30(8-5-17)9-6-26/h2-3,10-14,17H,4-5,7-9H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243972
(CHEMBL4088526)Show SMILES Fc1cc2ncc3ncc(=O)n(C4CCN(CC#N)CC4)c3c2cc1-c1cccnc1 Show InChI InChI=1S/C23H19FN6O/c24-19-11-20-18(10-17(19)15-2-1-6-26-12-15)23-21(13-27-20)28-14-22(31)30(23)16-3-7-29(8-4-16)9-5-25/h1-2,6,10-14,16H,3-4,7-9H2 | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP) |
J Med Chem 61: 881-904 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01402
BindingDB Entry DOI: 10.7270/Q28K7CHW |
More data for this
Ligand-Target Pair | |
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