Found 6 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)) | BDBM50447253
(CHEMBL3113390)Show SMILES Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccc5ccccc5c4)c3cc12 Show InChI InChI=1S/C24H16O5/c1-13-17-9-19-20(16-7-6-14-4-2-3-5-15(14)8-16)12-28-21(19)11-22(17)29-24(27)18(13)10-23(25)26/h2-9,11-12H,10H2,1H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sejong University
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by KINOMEscan assay |
Bioorg Med Chem Lett 24: 835-8 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.081
BindingDB Entry DOI: 10.7270/Q23B61MR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50447252
(CHEMBL3113391)Show InChI InChI=1S/C17H14N6O2/c1-23-16-13(9-20-23)15(18-10-19-16)21-11-4-6-12(7-5-11)22-17(24)14-3-2-8-25-14/h2-10H,1H3,(H,22,24)(H,18,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sejong University
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by KINOMEscan assay |
Bioorg Med Chem Lett 24: 835-8 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.081
BindingDB Entry DOI: 10.7270/Q23B61MR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50447251
(CHEMBL3113392)Show SMILES N=C1N2N=C(SC2=NC(=O)\C1=C\c1ccc2OCOc2c1)c1cccnc1 |c:3,7| Show InChI InChI=1S/C18H11N5O3S/c19-15-12(6-10-3-4-13-14(7-10)26-9-25-13)16(24)21-18-23(15)22-17(27-18)11-2-1-5-20-8-11/h1-8,19H,9H2/b12-6+,19-15? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sejong University
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by KINOMEscan assay |
Bioorg Med Chem Lett 24: 835-8 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.081
BindingDB Entry DOI: 10.7270/Q23B61MR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50447250
(CHEMBL3113389)Show SMILES CNS(=O)(=O)c1cc(ccc1C)-c1nnc(Nc2ccc(OCC(N)=O)cc2)c2ccccc12 Show InChI InChI=1S/C24H23N5O4S/c1-15-7-8-16(13-21(15)34(31,32)26-2)23-19-5-3-4-6-20(19)24(29-28-23)27-17-9-11-18(12-10-17)33-14-22(25)30/h3-13,26H,14H2,1-2H3,(H2,25,30)(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sejong University
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by KINOMEscan assay |
Bioorg Med Chem Lett 24: 835-8 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.081
BindingDB Entry DOI: 10.7270/Q23B61MR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM39677
(7-(2-furanylmethyl)-N-[3-(1-imidazolyl)propyl]-5,6...)Show SMILES C(CNc1ncnc2n(Cc3ccco3)c(c(-c3ccccc3)c12)-c1ccccc1)Cn1ccnc1 Show InChI InChI=1S/C29H26N6O/c1-3-9-22(10-4-1)25-26-28(31-14-8-16-34-17-15-30-21-34)32-20-33-29(26)35(19-24-13-7-18-36-24)27(25)23-11-5-2-6-12-23/h1-7,9-13,15,17-18,20-21H,8,14,16,19H2,(H,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sejong University
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by KINOMEscan assay |
Bioorg Med Chem Lett 24: 835-8 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.081
BindingDB Entry DOI: 10.7270/Q23B61MR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50447249
(CHEMBL3113388)Show SMILES COc1ccc(CCNC(=O)c2sc3nc(cc(-c4ccccc4)c3c2N)-c2ccccc2)cc1OC Show InChI InChI=1S/C30H27N3O3S/c1-35-24-14-13-19(17-25(24)36-2)15-16-32-29(34)28-27(31)26-22(20-9-5-3-6-10-20)18-23(33-30(26)37-28)21-11-7-4-8-12-21/h3-14,17-18H,15-16,31H2,1-2H3,(H,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sejong University
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by KINOMEscan assay |
Bioorg Med Chem Lett 24: 835-8 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.081
BindingDB Entry DOI: 10.7270/Q23B61MR |
More data for this
Ligand-Target Pair | |
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