Found 388 hits with Last Name = 'mortensen' and Initial = 'ds' 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 |
|---|
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50104326
(4-{3-(4-hydroxy-phenyl)-4-ethyl-5-[4-(2-piperidin-...)Show SMILES CCc1c(oc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C31H33NO4/c1-2-28-29(22-6-12-25(33)13-7-22)31(24-8-14-26(34)15-9-24)36-30(28)23-10-16-27(17-11-23)35-21-20-32-18-4-3-5-19-32/h6-17,33-34H,2-5,18-21H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor beta |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50104326
(4-{3-(4-hydroxy-phenyl)-4-ethyl-5-[4-(2-piperidin-...)Show SMILES CCc1c(oc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C31H33NO4/c1-2-28-29(22-6-12-25(33)13-7-22)31(24-8-14-26(34)15-9-24)36-30(28)23-10-16-27(17-11-23)35-21-20-32-18-4-3-5-19-32/h6-17,33-34H,2-5,18-21H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor alpha |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50104329
(4-{3-Ethyl-5-phenyl-4-[4-(2-piperidin-1-yl-ethoxy)...)Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccccc1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H33NO3/c1-2-28-29(23-13-17-27(18-14-23)34-22-21-32-19-7-4-8-20-32)31(24-9-5-3-6-10-24)35-30(28)25-11-15-26(33)16-12-25/h3,5-6,9-18,33H,2,4,7-8,19-22H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor beta |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50104324
(4-{5-(4-hydroxy-phenyl)-4-methyl-3-[4-(2-piperidin...)Show SMILES Cc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C30H31NO4/c1-21-28(22-9-15-27(16-10-22)34-20-19-31-17-3-2-4-18-31)30(24-7-13-26(33)14-8-24)35-29(21)23-5-11-25(32)12-6-23/h5-16,32-33H,2-4,17-20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor beta |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50104325
(4-[5-(4-hydroxy-phenyl)-4-ethyl-3-(4-methoxy-pheny...)Show SMILES CCc1c(oc(c1-c1ccc(OC)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C25H22O4/c1-3-22-23(16-8-14-21(28-2)15-9-16)25(18-6-12-20(27)13-7-18)29-24(22)17-4-10-19(26)11-5-17/h4-15,26-27H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor beta |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50104325
(4-[5-(4-hydroxy-phenyl)-4-ethyl-3-(4-methoxy-pheny...)Show SMILES CCc1c(oc(c1-c1ccc(OC)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C25H22O4/c1-3-22-23(16-8-14-21(28-2)15-9-16)25(18-6-12-20(27)13-7-18)29-24(22)17-4-10-19(26)11-5-17/h4-15,26-27H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor alpha |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50104327
(4-{5-(4-hydroxy-phenyl)-4-ethyl-3-[4-(2-piperidin-...)Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H33NO4/c1-2-28-29(22-10-16-27(17-11-22)35-21-20-32-18-4-3-5-19-32)31(24-8-14-26(34)15-9-24)36-30(28)23-6-12-25(33)13-7-23/h6-17,33-34H,2-5,18-21H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor beta |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50104329
(4-{3-Ethyl-5-phenyl-4-[4-(2-piperidin-1-yl-ethoxy)...)Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccccc1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H33NO3/c1-2-28-29(23-13-17-27(18-14-23)34-22-21-32-19-7-4-8-20-32)31(24-9-5-3-6-10-24)35-30(28)25-11-15-26(33)16-12-25/h3,5-6,9-18,33H,2,4,7-8,19-22H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor alpha |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50104323
(4-{5-(4-hydroxy-phenyl)-4-propyl-3-[4-(2-piperidin...)Show SMILES CCCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C32H35NO4/c1-2-6-29-30(23-11-17-28(18-12-23)36-22-21-33-19-4-3-5-20-33)32(25-9-15-27(35)16-10-25)37-31(29)24-7-13-26(34)14-8-24/h7-18,34-35H,2-6,19-22H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor beta |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50104328
(4-{4-Ethyl-5-phenyl-3-[4-(2-piperidin-1-yl-ethoxy)...)Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccccc1 Show InChI InChI=1S/C31H33NO3/c1-2-28-29(23-13-17-27(18-14-23)34-22-21-32-19-7-4-8-20-32)31(25-11-15-26(33)16-12-25)35-30(28)24-9-5-3-6-10-24/h3,5-6,9-18,33H,2,4,7-8,19-22H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor beta |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50104324
(4-{5-(4-hydroxy-phenyl)-4-methyl-3-[4-(2-piperidin...)Show SMILES Cc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C30H31NO4/c1-21-28(22-9-15-27(16-10-22)34-20-19-31-17-3-2-4-18-31)30(24-7-13-26(33)14-8-24)35-29(21)23-5-11-25(32)12-6-23/h5-16,32-33H,2-4,17-20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor alpha |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50104323
(4-{5-(4-hydroxy-phenyl)-4-propyl-3-[4-(2-piperidin...)Show SMILES CCCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C32H35NO4/c1-2-6-29-30(23-11-17-28(18-12-23)36-22-21-33-19-4-3-5-20-33)32(25-9-15-27(35)16-10-25)37-31(29)24-7-13-26(34)14-8-24/h7-18,34-35H,2-6,19-22H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor alpha |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50104328
(4-{4-Ethyl-5-phenyl-3-[4-(2-piperidin-1-yl-ethoxy)...)Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccccc1 Show InChI InChI=1S/C31H33NO3/c1-2-28-29(23-13-17-27(18-14-23)34-22-21-32-19-7-4-8-20-32)31(25-11-15-26(33)16-12-25)35-30(28)24-9-5-3-6-10-24/h3,5-6,9-18,33H,2,4,7-8,19-22H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor alpha |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50104327
(4-{5-(4-hydroxy-phenyl)-4-ethyl-3-[4-(2-piperidin-...)Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H33NO4/c1-2-28-29(22-10-16-27(17-11-22)35-21-20-32-18-4-3-5-19-32)31(24-8-14-26(34)15-9-24)36-30(28)23-6-12-25(33)13-7-23/h6-17,33-34H,2-5,18-21H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description
Displacement of [3H]-estradiol from Estrogen receptor alpha |
Bioorg Med Chem Lett 11: 2521-4 (2001)
BindingDB Entry DOI: 10.7270/Q2PV6JNV |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM251460
(US9452998, 9)Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34) | 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
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578360
(CHEMBL4849353)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,(62.95,-4.56,;64.29,-3.79,;65.62,-4.57,;65.61,-6.11,;66.95,-6.89,;68.27,-6.12,;68.28,-4.58,;66.96,-3.81,;69.61,-6.89,;70.94,-6.12,;70.94,-4.57,;72.27,-3.8,;73.61,-4.57,;74.94,-3.79,;76.27,-4.55,;74.93,-2.25,;73.62,-6.11,;74.95,-6.87,;74.96,-8.41,;73.53,-9.12,;73.24,-10.59,;74.17,-11.79,;75.64,-11.83,;76.67,-10.59,;78.16,-10.97,;76.35,-9.09,;72.27,-6.89,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578357
(CHEMBL4856984)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@](C)(O)C2)n1 |r,wU:5.8,18.18,wD:22.23,2.1,(1.13,-3.13,;2.47,-2.37,;3.8,-3.14,;3.79,-4.69,;5.12,-5.47,;6.45,-4.69,;6.46,-3.15,;5.13,-2.38,;7.78,-5.46,;9.12,-4.69,;9.12,-3.15,;10.45,-2.38,;11.79,-3.14,;13.11,-2.37,;14.45,-3.13,;13.11,-.83,;11.79,-4.69,;13.13,-5.45,;13.14,-6.99,;11.81,-7.76,;11.81,-9.29,;13.15,-10.06,;14.47,-9.29,;15.24,-10.62,;16.01,-9.29,;14.48,-7.75,;10.45,-5.47,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50573043
(CHEMBL4849510)Show SMILES CC1(C)[C@@H](O)C[C@H]1Nc1nc(NCc2cncnc2OCC(F)F)ncc1C#N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50573038
(CHEMBL4853353)Show SMILES CC1(C)[C@@H](C[C@@H]1C(N)=O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM251460
(US9452998, 9)Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PKC-alpha (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362903
(CHEMBL1945953)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C19H19N7O2/c27-19-24-17-18(26(19)10-12-5-7-28-8-6-12)23-15(9-20-17)13-1-3-14(4-2-13)16-21-11-22-25-16/h1-4,9,11-12H,5-8,10H2,(H,20,24,27)(H,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362941
(CHEMBL1946264)Show SMILES Nc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H21N7O/c20-18-23-13-7-6-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H3,20,23,24)(H,21,25,27) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
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 | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578347
(CHEMBL4853125)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,18.18,wD:2.1,22.23,(41.41,-23.69,;42.75,-22.93,;44.08,-23.7,;44.07,-25.24,;45.41,-26.02,;46.73,-25.25,;46.74,-23.71,;45.42,-22.94,;48.07,-26.02,;49.4,-25.25,;49.4,-23.71,;50.73,-22.94,;52.07,-23.7,;53.4,-22.92,;54.73,-23.69,;53.39,-21.38,;52.08,-25.24,;53.41,-26.01,;53.42,-27.55,;52.09,-28.32,;52.09,-29.85,;53.43,-30.62,;54.76,-29.85,;56.1,-30.62,;54.76,-28.3,;50.73,-26.02,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578358
(CHEMBL4878370)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CC[C@@H](C)[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,21.22,(19.9,-4.09,;21.24,-3.32,;22.57,-4.1,;22.57,-5.64,;23.9,-6.42,;25.23,-5.65,;25.24,-4.11,;23.91,-3.34,;26.56,-6.42,;27.89,-5.65,;27.9,-4.11,;29.22,-3.34,;30.56,-4.1,;31.89,-3.32,;33.23,-4.09,;31.88,-1.78,;30.57,-5.64,;31.91,-6.41,;31.91,-7.95,;30.58,-8.72,;30.59,-10.25,;31.92,-11.02,;31.92,-12.56,;33.25,-10.24,;34.58,-11.01,;33.25,-8.7,;29.23,-6.42,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578367
(CHEMBL4864618)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OCC(F)(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,23.24,27.29,wD:11.14,(79.91,-33.17,;78.57,-32.41,;78.56,-30.87,;77.24,-33.18,;75.9,-32.42,;74.57,-33.19,;74.57,-34.73,;73.24,-35.5,;71.9,-34.73,;70.58,-35.51,;69.24,-34.73,;69.25,-33.18,;70.59,-32.42,;71.91,-33.19,;67.92,-32.41,;66.58,-33.17,;65.25,-32.4,;65.26,-30.86,;63.91,-33.16,;63.91,-31.62,;75.91,-35.5,;77.25,-34.73,;78.58,-35.49,;78.59,-37.03,;77.26,-37.8,;77.27,-39.33,;78.6,-40.1,;79.93,-39.33,;81.26,-40.09,;79.93,-37.79,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50573042
(CHEMBL4854104)Show SMILES CC(C)(F)c1ncncc1CNc1ncc(C#N)c(N[C@@H]2C[C@H](O)C2(C)C)n1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
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 | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578346
(CHEMBL4847078)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578366
(CHEMBL4845965)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OC(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,21.22,25.27,wD:11.14,(57.85,-32.36,;56.51,-31.59,;56.51,-30.05,;55.18,-32.37,;53.85,-31.61,;52.52,-32.38,;52.52,-33.92,;51.18,-34.69,;49.85,-33.92,;48.52,-34.69,;47.19,-33.91,;47.19,-32.37,;48.53,-31.61,;49.86,-32.38,;45.86,-31.6,;44.53,-32.36,;43.2,-31.58,;44.52,-33.9,;53.85,-34.69,;55.19,-33.91,;56.53,-34.68,;56.54,-36.22,;55.21,-36.99,;55.21,-38.52,;56.54,-39.29,;57.87,-38.51,;59.21,-39.28,;57.88,-36.97,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578346
(CHEMBL4847078)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578365
(CHEMBL4853525)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,18.19,22.24,wD:11.11,(15.33,-30.3,;13.99,-29.54,;13.99,-28,;12.66,-30.32,;11.33,-29.55,;10,-30.32,;10,-31.87,;8.66,-32.64,;7.33,-31.87,;6,-32.64,;4.67,-31.86,;4.67,-30.32,;3.34,-29.54,;6.01,-29.56,;7.34,-30.33,;11.33,-32.64,;12.67,-31.86,;14.01,-32.62,;14.02,-34.16,;12.69,-34.93,;12.69,-36.47,;14.02,-37.24,;15.35,-36.46,;16.69,-37.23,;15.36,-34.92,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
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 | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50573034
(CHEMBL4859091)Show SMILES CC1(C)[C@@H](O)C[C@H]1Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N |r| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50572994
(CHEMBL4854326)Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
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 | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362928
(CHEMBL1945955)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C20H20N6O2/c27-20-25-18-19(26(20)12-13-5-9-28-10-6-13)24-16(11-23-18)14-1-3-15(4-2-14)17-21-7-8-22-17/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,21,22)(H,23,25,27) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
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 | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578364
(CHEMBL4875131)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC23CC(C2)C3)n1 |r,wU:5.8,wD:2.1,(64.75,-19.37,;66.09,-18.6,;67.42,-19.38,;67.42,-20.92,;68.75,-21.7,;70.08,-20.93,;70.09,-19.39,;68.76,-18.62,;71.41,-21.7,;72.75,-20.93,;72.75,-19.38,;74.08,-18.61,;75.41,-19.38,;76.74,-18.6,;78.08,-19.36,;76.73,-17.06,;75.42,-20.92,;76.76,-21.68,;76.76,-23.22,;75.68,-24.31,;76.78,-25.4,;77.86,-24.3,;76.29,-24.27,;74.08,-21.7,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50578361
(CHEMBL4877560)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCOC2)n1 |r,wU:5.8,18.18,wD:2.1,(2.62,-17.13,;3.96,-16.37,;5.29,-17.15,;5.28,-18.69,;6.62,-19.47,;7.95,-18.69,;7.95,-17.15,;6.63,-16.38,;9.28,-19.46,;10.61,-18.7,;10.61,-17.15,;11.94,-16.38,;13.28,-17.14,;14.61,-16.37,;15.95,-17.13,;14.6,-14.83,;13.29,-18.69,;14.63,-19.45,;14.63,-20.99,;13.3,-21.76,;13.31,-23.29,;14.64,-24.07,;15.97,-23.29,;15.97,-21.75,;11.95,-19.47,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50578343
(CHEMBL4878046)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1 |r,wU:8.7,wD:11.11,(53.88,-7.89,;52.54,-7.13,;52.54,-5.59,;51.21,-7.9,;49.88,-7.14,;48.55,-7.91,;48.55,-9.45,;47.21,-10.22,;45.88,-9.45,;44.55,-10.23,;43.22,-9.45,;43.22,-7.9,;41.89,-7.13,;44.56,-7.14,;45.89,-7.91,;49.88,-10.23,;51.22,-9.45,;52.56,-10.21,;52.57,-11.75,;51.24,-12.52,;51.24,-14.06,;52.58,-14.82,;53.91,-14.04,;53.9,-12.5,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50578346
(CHEMBL4847078)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
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
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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 | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362942
(CHEMBL1946265)Show SMILES CNc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCOCC3)c2n1 Show InChI InChI=1S/C19H21N7O2/c1-20-18-23-13-3-2-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-6-28-7-5-11/h2-3,8-9,11H,4-7,10H2,1H3,(H2,20,23,24)(H,21,25,27) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50573033
(CHEMBL4851695)Show SMILES CC1(C)C[C@@H](CC[C@@H]1O)Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N |r| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50578347
(CHEMBL4853125)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,18.18,wD:2.1,22.23,(41.41,-23.69,;42.75,-22.93,;44.08,-23.7,;44.07,-25.24,;45.41,-26.02,;46.73,-25.25,;46.74,-23.71,;45.42,-22.94,;48.07,-26.02,;49.4,-25.25,;49.4,-23.71,;50.73,-22.94,;52.07,-23.7,;53.4,-22.92,;54.73,-23.69,;53.39,-21.38,;52.08,-25.24,;53.41,-26.01,;53.42,-27.55,;52.09,-28.32,;52.09,-29.85,;53.43,-30.62,;54.76,-29.85,;56.1,-30.62,;54.76,-28.3,;50.73,-26.02,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578343
(CHEMBL4878046)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1 |r,wU:8.7,wD:11.11,(53.88,-7.89,;52.54,-7.13,;52.54,-5.59,;51.21,-7.9,;49.88,-7.14,;48.55,-7.91,;48.55,-9.45,;47.21,-10.22,;45.88,-9.45,;44.55,-10.23,;43.22,-9.45,;43.22,-7.9,;41.89,-7.13,;44.56,-7.14,;45.89,-7.91,;49.88,-10.23,;51.22,-9.45,;52.56,-10.21,;52.57,-11.75,;51.24,-12.52,;51.24,-14.06,;52.58,-14.82,;53.91,-14.04,;53.9,-12.5,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50573029
(CHEMBL4861883)Show SMILES CC1(C)C[C@@H](CC[C@@H]1O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair | |
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