Found 249 hits with Last Name = 'narla' and Initial = 'rk' 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 |
|---|
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532292
(JGS79C | N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-m...)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length TTK (unknown origin) using MBP-derived peptide as substrate preincubated for 1 hr in dark followed by substrate addition an... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582067
(CHEMBL5093015)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582063
(CHEMBL5092826)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCN(CC(=O)N(C)C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582065
(CHEMBL5075313)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582061
(CHEMBL5081270)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582069
(CHEMBL5073101)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50431522
(CHEMBL2348865)Show SMILES O=c1[nH]c2ncc(nc2n1CCC1CCOCC1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C20H21N7O2/c28-20-25-18-19(27(20)8-5-13-6-9-29-10-7-13)24-16(11-21-18)14-1-3-15(4-2-14)17-22-12-23-26-17/h1-4,11-13H,5-10H2,(H,21,25,28)(H,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mTOR (unknown origin) using GST-p70S6 as substrate after 60 mins by TR-FRET analysis |
Bioorg Med Chem Lett 23: 1588-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.110
BindingDB Entry DOI: 10.7270/Q21N82GM |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582068
(CHEMBL5077668)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CN4CCN(C)CC4)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582074
(CHEMBL5081668)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582077
(CHEMBL5085753)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582066
(CHEMBL5084062)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582064
(CHEMBL5091689)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCN(CC(=O)N(C)C)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50093070
(CHEMBL3586561)Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1 |r,wD:5.5,2.1,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,;2.68,5.39,;4.01,6.15,)| | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582071
(CHEMBL5086022)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582070
(CHEMBL5085278)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092785
(CHEMBL3586383)Show SMILES Cc1cc(ccc1-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-24-13-25-28-20)2-3-17(14)18-11-23-21-22(26-18)29(12-19(30)27-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,27,30)(H,24,25,28) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50093070
(CHEMBL3586561)Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1 |r,wD:5.5,2.1,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,;2.68,5.39,;4.01,6.15,)| | PDB
UniProtKB/SwissProt
antibodypedia
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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092784
(CHEMBL3586382)Show SMILES O=C1CNc2ncc(nc2N1CCC1CCOCC1)-c1ccc(cc1)-c1nc[nH]n1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-23-20-21(28(18)8-5-14-6-9-30-10-7-14)26-17(11-22-20)15-1-3-16(4-2-15)19-24-13-25-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,25,27) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092786
(CHEMBL3586384)Show SMILES Cc1cc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-25-13-26-28-20)2-3-17(14)18-11-23-21-22(27-18)29(19(30)12-24-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,24)(H,25,26,28) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM317462
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human full length recombinant GST-tagged TTK expressed in baculovirus by LanthaScreen Eu kinase binding assay |
J Med Chem 60: 8989-9002 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01223
BindingDB Entry DOI: 10.7270/Q2GF0WX9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582076
(CHEMBL5079606)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N(C)CCN(C)C)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582075
(CHEMBL5085182)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK2
(Homo sapiens (Human)) | BDBM317462
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34) | PDB
UniProtKB/SwissProt
B.MOAD
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MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged CLK2 expressed in baculovirus by Z'-LYTE assay |
J Med Chem 60: 8989-9002 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01223
BindingDB Entry DOI: 10.7270/Q2GF0WX9 |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50093075
(CHEMBL3586566)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582062
(CHEMBL5086435)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582073
(CHEMBL5077627)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50092782
(CHEMBL3586387)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50093075
(CHEMBL3586566)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)| | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50431521
(CHEMBL2348864)Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-28(8-5-14-6-9-30-10-7-14)21-20(26-18)22-11-17(25-21)15-1-3-16(4-2-15)19-23-13-24-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,26,29)(H,23,24,27) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mTOR (unknown origin) using GST-p70S6 as substrate after 60 mins by TR-FRET analysis |
Bioorg Med Chem Lett 23: 1588-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.110
BindingDB Entry DOI: 10.7270/Q21N82GM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50431521
(CHEMBL2348864)Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-28(8-5-14-6-9-30-10-7-14)21-20(26-18)22-11-17(25-21)15-1-3-16(4-2-15)19-23-13-24-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,26,29)(H,23,24,27) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582072
(CHEMBL5087340)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCN(CC(=O)N(C)C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092783
(CHEMBL3586404)Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)| Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15- | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50093077
(CHEMBL3586568)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(C3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C19H20N8O2/c1-11-13(2-3-14(24-11)17-22-10-23-26-17)15-8-20-18-19(25-15)27(16(28)9-21-18)12-4-6-29-7-5-12/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)(H,22,23,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50093080
(CHEMBL3586571)Show SMILES COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 Show InChI InChI=1S/C17H18N8O2/c1-10-11(3-4-12(22-10)15-20-9-21-24-15)13-7-18-16-17(23-13)25(5-6-27-2)14(26)8-19-16/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,19)(H,20,21,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50093076
(CHEMBL3586567)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,wD:19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;1.32,7.39,;2.66,5.39,;2.66,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)| | PDB
UniProtKB/SwissProt
antibodypedia
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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092769
(CHEMBL3586397)Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2)C(C)(C)O)CC1 |r,wU:5.5,2.1,(6.68,-7.38,;6.68,-6.15,;5.34,-5.38,;5.34,-3.84,;4,-3.07,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,;2.68,-5.39,;4.01,-6.15,)| Show InChI InChI=1S/C20H22ClFN2/c21-17-2-1-3-19(13-17)24-10-8-23(9-11-24)14-16-12-20(16)15-4-6-18(22)7-5-15/h1-7,13,16,20H,8-12,14H2/t16-,20-/m1/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50093069
(CHEMBL3586560)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C20H22N8O2/c1-12-14(2-3-15(25-12)18-23-11-24-27-18)16-8-21-19-20(26-16)28(17(29)9-22-19)10-13-4-6-30-7-5-13/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,21,22)(H,23,24,27) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092782
(CHEMBL3586387)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50545275
(CHEMBL4645677)Show SMILES Fc1ccc(N2CCN(Cc3ccc(COc4cccc5C(=O)N(Cc45)C4CCC(=O)NC4=O)cc3)CC2)c(F)c1 Show InChI InChI=1S/C31H30F2N4O4/c32-22-8-9-26(25(33)16-22)36-14-12-35(13-15-36)17-20-4-6-21(7-5-20)19-41-28-3-1-2-23-24(28)18-37(31(23)40)27-10-11-29(38)34-30(27)39/h1-9,16,27H,10-15,17-19H2,(H,34,38,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of adrenergic receptor alpha1 (unknown origin) |
J Med Chem 63: 6648-6676 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01928
BindingDB Entry DOI: 10.7270/Q2KS6W4N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092782
(CHEMBL3586387)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50093082
(CHEMBL3586573)Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human DNA PK |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK2
(Homo sapiens (Human)) | BDBM317462
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CLK2 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control |
J Med Chem 60: 8989-9002 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01223
BindingDB Entry DOI: 10.7270/Q2GF0WX9 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50093074
(CHEMBL3586565)Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 |r,wU:5.8,wD:2.1,(2.39,8.32,;1.33,7.7,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)| | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50093069
(CHEMBL3586560)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C20H22N8O2/c1-12-14(2-3-15(25-12)18-23-11-24-27-18)16-8-21-19-20(26-16)28(17(29)9-22-19)10-13-4-6-30-7-5-13/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,21,22)(H,23,24,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092780
(CHEMBL3586385)Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(nc1)-c1nc[nH]n1 Show InChI InChI=1S/C20H22N8O2/c29-17-11-28(6-3-13-4-7-30-8-5-13)20-19(26-17)22-10-16(25-20)14-1-2-15(21-9-14)18-23-12-24-27-18/h1-2,9-10,12-13H,3-8,11H2,(H,22,26,29)(H,23,24,27) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50093080
(CHEMBL3586571)Show SMILES COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 Show InChI InChI=1S/C17H18N8O2/c1-10-11(3-4-12(22-10)15-20-9-21-24-15)13-7-18-16-17(23-13)25(5-6-27-2)14(26)8-19-16/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,19)(H,20,21,24) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50093076
(CHEMBL3586567)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,wD:19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;1.32,7.39,;2.66,5.39,;2.66,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)| | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50093074
(CHEMBL3586565)Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 |r,wU:5.8,wD:2.1,(2.39,8.32,;1.33,7.7,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50093082
(CHEMBL3586573)Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50093082
(CHEMBL3586573)Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
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