Found 316 hits with Last Name = 'chakrabarti' and Initial = 'pp' 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 |
|---|
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253105
(6-Chloro-N-cyclopropyl-7-(1-((S)-3-methylmorpholin...)Show SMILES CNc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C21H20ClN5O2/c1-12-11-28-8-7-27(12)21-15-4-3-13(9-14(15)10-24-25-21)18-17(22)6-5-16-19(18)29-26-20(16)23-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,26)/t12-/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
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253148
(CHEMBL522689 | N-(S)-sec-Butyl-6-(6-methyl-3-(meth...)Show SMILES CC[C@H](C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC)noc12 |r| Show InChI InChI=1S/C21H23N5O/c1-5-13(3)24-21-16-9-7-14(10-15(16)11-23-25-21)18-12(2)6-8-17-19(18)27-26-20(17)22-4/h6-11,13H,5H2,1-4H3,(H,22,26)(H,24,25)/t13-/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
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252776
(CHEMBL495493 | N-Ethyl-6-methyl-7-(1-((S)-3-methyl...)Show SMILES CCNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C23H25N5O2/c1-4-24-22-19-7-5-14(2)20(21(19)30-27-22)16-6-8-18-17(11-16)12-25-26-23(18)28-9-10-29-13-15(28)3/h5-8,11-12,15H,4,9-10,13H2,1-3H3,(H,24,27)/t15-/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
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253102
(6-Methyl-7-(1-((S)-3-methylmorpholino)phthalazin-6...)Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)noc12 |r| Show InChI InChI=1S/C21H21N5O2/c1-12-3-5-17-19(28-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-24-21(16)26-7-8-27-11-13(26)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,22,25)/t13-/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
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253150
(CHEMBL493496 | N,6-Dimethyl-7-(1-((R)-3-methylmorp...)Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/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
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253103
(7-(1-Isopropoxyphthalazin-6-yl)-N,6-dimethylbenzo[...)Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(OC(C)C)nncc2c1 Show InChI InChI=1S/C20H20N4O2/c1-11(2)25-20-15-8-6-13(9-14(15)10-22-23-20)17-12(3)5-7-16-18(17)26-24-19(16)21-4/h5-11H,1-4H3,(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252735
(CHEMBL495084 | N-Cyclopropyl-6-methyl-7-(1-o-tolyl...)Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12 Show InChI InChI=1S/C26H22N4O/c1-15-5-3-4-6-20(15)24-21-12-8-17(13-18(21)14-27-29-24)23-16(2)7-11-22-25(23)31-30-26(22)28-19-9-10-19/h3-8,11-14,19H,9-10H2,1-2H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252777
(CHEMBL523374 | N,6-Dimethyl-7-(1-((S)-3-methylmorp...)Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/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
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253149
(6-Chloro-N-isopropyl-7-(1-((S)-3-methylmorpholino)...)Show SMILES CC(C)Nc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C23H24ClN5O2/c1-13(2)26-22-18-6-7-19(24)20(21(18)31-28-22)15-4-5-17-16(10-15)11-25-27-23(17)29-8-9-30-12-14(29)3/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,26,28)/t14-/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
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252775
(6-(3-(cyclopropylamino)-6-methylbenzo[d]isoxazol-7...)Show SMILES CC(C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12 Show InChI InChI=1S/C22H23N5O/c1-12(2)24-21-17-9-5-14(10-15(17)11-23-26-21)19-13(3)4-8-18-20(19)28-27-22(18)25-16-6-7-16/h4-5,8-12,16H,6-7H2,1-3H3,(H,24,26)(H,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
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253147
(CHEMBL494305 | N-Isopropyl-6-(6-methyl-3-(methylam...)Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(NC(C)C)nncc2c1 Show InChI InChI=1S/C20H21N5O/c1-11(2)23-20-15-8-6-13(9-14(15)10-22-24-20)17-12(3)5-7-16-18(17)26-25-19(16)21-4/h5-11H,1-4H3,(H,21,25)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253104
(CHEMBL521860 | N-(6-Methyl-7-(1-((S)-3-methylmorph...)Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC(C)=O)noc12 |r| Show InChI InChI=1S/C23H23N5O3/c1-13-4-6-19-21(31-27-22(19)25-15(3)29)20(13)16-5-7-18-17(10-16)11-24-26-23(18)28-8-9-30-12-14(28)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,25,27,29)/t14-/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
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252736
(CHEMBL522877 | N-Cyclopropyl-6-methyl-7-(1-((S)-3-...)Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12 |r| Show InChI InChI=1S/C24H25N5O2/c1-14-3-7-20-22(31-28-23(20)26-18-5-6-18)21(14)16-4-8-19-17(11-16)12-25-27-24(19)29-9-10-30-13-15(29)2/h3-4,7-8,11-12,15,18H,5-6,9-10,13H2,1-2H3,(H,26,28)/t15-/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
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252774
(1-((S)-4-(6-(3-(Cyclopropylamino)-6-methylbenzo[d]...)Show SMILES C[C@H]1CN(CCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12)C(C)=O |r| Show InChI InChI=1S/C26H28N6O2/c1-15-4-8-22-24(34-30-25(22)28-20-6-7-20)23(15)18-5-9-21-19(12-18)13-27-29-26(21)32-11-10-31(17(3)33)14-16(32)2/h4-5,8-9,12-13,16,20H,6-7,10-11,14H2,1-3H3,(H,28,30)/t16-/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
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253101
(7-(1-Isopropylphthalazin-6-yl)-N,6-dimethylbenzo[d...)Show InChI InChI=1S/C20H20N4O/c1-11(2)18-15-8-6-13(9-14(15)10-22-23-18)17-12(3)5-7-16-19(17)25-24-20(16)21-4/h5-11H,1-4H3,(H,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
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Homo sapiens (Human)) | BDBM50252777
(CHEMBL523374 | N,6-Dimethyl-7-(1-((S)-3-methylmorp...)Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38beta-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252738
(6-Methyl-7-(1-((S)-3-methylmorpholino)phthalazin-6...)Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)nsc12 |r| Show InChI InChI=1S/C21H21N5OS/c1-12-3-5-17-19(28-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-24-21(16)26-7-8-27-11-13(26)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,22,25)/t13-/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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253151
(6-Methyl-7-(1-((S)-3-methylmorpholino)phthalazin-6...)Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)n[nH]c12 |r| Show InChI InChI=1S/C21H22N6O/c1-12-3-5-17-19(24-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-26-21(16)27-7-8-28-11-13(27)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H3,22,24,25)/t13-/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
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation |
J Med Chem 51: 6280-92 (2008)
Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50264967
((2S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)p...)Show SMILES CC(C)CN1C(C)CC[C@H]1C(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F |r| Show InChI InChI=1S/C30H31F3N6O3S/c1-16(2)14-39-17(3)8-11-23(39)28(41)37-22-12-19(30(31,32)33)9-10-20(22)21-13-26(35-15-34-21)42-24-6-5-7-25-27(24)38-29(43-25)36-18(4)40/h5-7,9-10,12-13,15-17,23H,8,11,14H2,1-4H3,(H,37,41)(H,36,38,40)/t17?,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0690 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5118-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50264925
((S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)py...)Show SMILES CC(C)CN1CCC[C@H]1C(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N6O3S/c1-16(2)14-38-11-5-6-22(38)27(40)36-21-12-18(29(30,31)32)9-10-19(21)20-13-25(34-15-33-20)41-23-7-4-8-24-26(23)37-28(42-24)35-17(3)39/h4,7-10,12-13,15-16,22H,5-6,11,14H2,1-3H3,(H,36,40)(H,35,37,39)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5118-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50241325
(CHEMBL251348 | N-(4-(2-(1-isobutyl-1,2,3,6-tetrahy...)Show SMILES CC(C)CN1CCC(=CC1)c1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F |c:7| Show InChI InChI=1S/C29H28F3N5O2S/c1-17(2)16-37-13-11-20(12-14-37)27-34-22(19-7-9-21(10-8-19)29(30,31)32)15-25(35-27)39-23-5-4-6-24-26(23)36-28(40-24)33-18(3)38/h4-11,15,17H,12-14,16H2,1-3H3,(H,33,36,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx |
Bioorg Med Chem Lett 17: 6539-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM20464
((2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyri...)Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCCCC1 Show InChI InChI=1S/C23H21F3N4O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18/h4-12,15H,1-3,13-14H2,(H,28,31)/b11-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of capsaicin-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells |
J Med Chem 48: 71-90 (2005)
Article DOI: 10.1021/jm049485i
BindingDB Entry DOI: 10.7270/Q2J67GDG |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50265041
(CHEMBL525804 | N-(4-(6-(2-(1-(pyridin-2-yl)ethylam...)Show SMILES CC(Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F)c1ccccn1 Show InChI InChI=1S/C27H21F3N6O2S/c1-15(19-6-3-4-11-31-19)34-21-12-17(27(28,29)30)9-10-18(21)20-13-24(33-14-32-20)38-22-7-5-8-23-25(22)36-26(39-23)35-16(2)37/h3-15,34H,1-2H3,(H,35,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5118-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20557
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | 5.0 | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of pH 5 acid-induced 45Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5118-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20557
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx |
Bioorg Med Chem Lett 17: 6539-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50264927
((R)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)py...)Show SMILES CC(C)CN1CCC[C@@H]1C(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N6O3S/c1-16(2)14-38-11-5-6-22(38)27(40)36-21-12-18(29(30,31)32)9-10-19(21)20-13-25(34-15-33-20)41-23-7-4-8-24-26(23)37-28(42-24)35-17(3)39/h4,7-10,12-13,15-16,22H,5-6,11,14H2,1-3H3,(H,36,40)(H,35,37,39)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5118-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252781
(CHEMBL493670 | N-Cyclopropyl-4-methyl-3-(1-(1-meth...)Show SMILES CC(C)Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O2/c1-13(2)27-22-19-9-6-15(10-17(19)12-23-25-22)20-11-16(5-4-14(20)3)21(26)24-18-7-8-18/h4-6,9-13,18H,7-8H2,1-3H3,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha (unknown origin) |
J Med Chem 51: 6271-9 (2008)
Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253155
(CHEMBL492266 | N-Cyclopropyl-4-methyl-3-(4-(1-meth...)Show SMILES CC(C)Oc1cncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C23H24N2O2/c1-14(2)27-22-13-24-12-18-10-16(6-9-20(18)22)21-11-17(5-4-15(21)3)23(26)25-19-7-8-19/h4-6,9-14,19H,7-8H2,1-3H3,(H,25,26) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha (unknown origin) |
J Med Chem 51: 6271-9 (2008)
Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50225031
(CHEMBL251565 | tert-butyl 4-(4-(2-acetamidobenzo[d...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(n3)C3=CCN(CC3)C(=O)OC(C)(C)C)-c3ccc(cc3)C(F)(F)F)cccc2s1 |t:16| Show InChI InChI=1S/C30H28F3N5O4S/c1-17(39)34-27-37-25-22(6-5-7-23(25)43-27)41-24-16-21(18-8-10-20(11-9-18)30(31,32)33)35-26(36-24)19-12-14-38(15-13-19)28(40)42-29(2,3)4/h5-12,16H,13-15H2,1-4H3,(H,34,37,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx |
Bioorg Med Chem Lett 17: 6539-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50264965
((S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)py...)Show SMILES CC(C)CN1CCC[C@@]1(C)C(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F |r| Show InChI InChI=1S/C30H31F3N6O3S/c1-17(2)15-39-12-6-11-29(39,4)27(41)37-22-13-19(30(31,32)33)9-10-20(22)21-14-25(35-16-34-21)42-23-7-5-8-24-26(23)38-28(43-24)36-18(3)40/h5,7-10,13-14,16-17H,6,11-12,15H2,1-4H3,(H,37,41)(H,36,38,40)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5118-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253152
(CHEMBL493708 | N-Cyclopropyl-4-methyl-3-(1-((R)-2,...)Show SMILES C[C@@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H20F3N3O2/c1-12-3-4-15(20(29)27-17-6-7-17)10-19(12)14-5-8-18-16(9-14)11-26-28-21(18)30-13(2)22(23,24)25/h3-5,8-11,13,17H,6-7H2,1-2H3,(H,27,29)/t13-/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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha (unknown origin) |
J Med Chem 51: 6271-9 (2008)
Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253154
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
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MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha (unknown origin) |
J Med Chem 51: 6271-9 (2008)
Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20557
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
MCE
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of capsaicin induced calcium influx |
Bioorg Med Chem Lett 17: 6539-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20557
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5118-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252782
(CHEMBL493671 | N-Cyclopropyl-4-methyl-3-(1-((S)-2,...)Show SMILES C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H20F3N3O2/c1-12-3-4-15(20(29)27-17-6-7-17)10-19(12)14-5-8-18-16(9-14)11-26-28-21(18)30-13(2)22(23,24)25/h3-5,8-11,13,17H,6-7H2,1-2H3,(H,27,29)/t13-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha (unknown origin) |
J Med Chem 51: 6271-9 (2008)
Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM20464
((2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyri...)Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCCCC1 Show InChI InChI=1S/C23H21F3N4O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18/h4-12,15H,1-3,13-14H2,(H,28,31)/b11-8+ | PDB
MMDB
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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of pH-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells |
J Med Chem 48: 71-90 (2005)
Article DOI: 10.1021/jm049485i
BindingDB Entry DOI: 10.7270/Q2J67GDG |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50265003
(CHEMBL500900 | N-(2-(6-(2-acetamidobenzo[d]thiazol...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)c3ccccn3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C26H17F3N6O3S/c1-14(36)33-25-35-23-20(6-4-7-21(23)39-25)38-22-12-18(31-13-32-22)16-9-8-15(26(27,28)29)11-19(16)34-24(37)17-5-2-3-10-30-17/h2-13H,1H3,(H,34,37)(H,33,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5118-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252779
(CHEMBL494469 | N-Cyclopropyl-4-methyl-3-(1-((3S)-3...)Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 |r| Show InChI InChI=1S/C24H26N4O2/c1-15-3-4-18(24(29)26-20-6-7-20)12-22(15)17-5-8-21-19(11-17)13-25-27-23(21)28-9-10-30-14-16(28)2/h3-5,8,11-13,16,20H,6-7,9-10,14H2,1-2H3,(H,26,29)/t16-/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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha (unknown origin) |
J Med Chem 51: 6271-9 (2008)
Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50158665
((E)-3-(4-tert-Butyl-phenyl)-N-quinolin-7-yl-acryla...)Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)cc1 Show InChI InChI=1S/C22H22N2O/c1-22(2,3)18-10-6-16(7-11-18)8-13-21(25)24-19-12-9-17-5-4-14-23-20(17)15-19/h4-15H,1-3H3,(H,24,25)/b13-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of capsaicin-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells |
J Med Chem 48: 71-90 (2005)
Article DOI: 10.1021/jm049485i
BindingDB Entry DOI: 10.7270/Q2J67GDG |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50225032
(CHEMBL249731 | N-(4-(2-(pyridin-4-yl)-6-(4-(triflu...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(n3)-c3ccncc3)-c3ccc(cc3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C25H16F3N5O2S/c1-14(34)30-24-33-22-19(3-2-4-20(22)36-24)35-21-13-18(15-5-7-17(8-6-15)25(26,27)28)31-23(32-21)16-9-11-29-12-10-16/h2-13H,1H3,(H,30,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx |
Bioorg Med Chem Lett 17: 6539-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50241322
(CHEMBL398411 | N-(4-(2-morpholino-6-(4-(trifluorom...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(n3)N3CCOCC3)-c3ccc(cc3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C24H20F3N5O3S/c1-14(33)28-23-31-21-18(3-2-4-19(21)36-23)35-20-13-17(15-5-7-16(8-6-15)24(25,26)27)29-22(30-20)32-9-11-34-12-10-32/h2-8,13H,9-12H2,1H3,(H,28,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx |
Bioorg Med Chem Lett 17: 6539-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252778
(CHEMBL494272 | N-Cyclopropyl-4-methyl-3-(1-(4-morp...)Show SMILES Cc1ccc(cc1-c1ccc2c(nncc2c1)N1CCOCC1)C(=O)NC1CC1 Show InChI InChI=1S/C23H24N4O2/c1-15-2-3-17(23(28)25-19-5-6-19)13-21(15)16-4-7-20-18(12-16)14-24-26-22(20)27-8-10-29-11-9-27/h2-4,7,12-14,19H,5-6,8-11H2,1H3,(H,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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha (unknown origin) |
J Med Chem 51: 6271-9 (2008)
Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50264968
(CHEMBL500380 | N-(2-(6-(2-acetamidobenzo[d]thiazol...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)C3CCC(C)(C)N3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C27H25F3N6O3S/c1-14(37)33-25-35-23-20(5-4-6-21(23)40-25)39-22-12-18(31-13-32-22)16-8-7-15(27(28,29)30)11-19(16)34-24(38)17-9-10-26(2,3)36-17/h4-8,11-13,17,36H,9-10H2,1-3H3,(H,34,38)(H,33,35,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5118-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50158658
((E)-3-(2-Morpholin-4-yl-6-trifluoromethyl-pyridin-...)Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCOCC1 Show InChI InChI=1S/C22H19F3N4O2/c23-22(24,25)19-7-4-16(21(28-19)29-10-12-31-13-11-29)5-8-20(30)27-17-6-3-15-2-1-9-26-18(15)14-17/h1-9,14H,10-13H2,(H,27,30)/b8-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of pH-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells |
J Med Chem 48: 71-90 (2005)
Article DOI: 10.1021/jm049485i
BindingDB Entry DOI: 10.7270/Q2J67GDG |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50225033
(CHEMBL249983 | N-(4-(2-methyl-6-(4-(trifluoromethy...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(C)n3)-c3ccc(cc3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C21H15F3N4O2S/c1-11-25-15(13-6-8-14(9-7-13)21(22,23)24)10-18(26-11)30-16-4-3-5-17-19(16)28-20(31-17)27-12(2)29/h3-10H,1-2H3,(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx |
Bioorg Med Chem Lett 17: 6539-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50225038
(CHEMBL250185 | N-(4-(2-(piperidin-1-yl)-6-(4-(trif...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(n3)N3CCCCC3)-c3ccc(cc3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C25H22F3N5O2S/c1-15(34)29-24-32-22-19(6-5-7-20(22)36-24)35-21-14-18(16-8-10-17(11-9-16)25(26,27)28)30-23(31-21)33-12-3-2-4-13-33/h5-11,14H,2-4,12-13H2,1H3,(H,29,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx |
Bioorg Med Chem Lett 17: 6539-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50225027
(CHEMBL400571 | N-(4-(2-(1-(pyridin-2-yl)ethylamino...)Show SMILES CC(Nc1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F)c1ccccn1 |w:1.0| Show InChI InChI=1S/C27H21F3N6O2S/c1-15(19-6-3-4-13-31-19)32-25-34-20(17-9-11-18(12-10-17)27(28,29)30)14-23(35-25)38-21-7-5-8-22-24(21)36-26(39-22)33-16(2)37/h3-15H,1-2H3,(H,32,34,35)(H,33,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of capsaicin induced calcium influx |
Bioorg Med Chem Lett 17: 6539-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50225027
(CHEMBL400571 | N-(4-(2-(1-(pyridin-2-yl)ethylamino...)Show SMILES CC(Nc1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F)c1ccccn1 |w:1.0| Show InChI InChI=1S/C27H21F3N6O2S/c1-15(19-6-3-4-13-31-19)32-25-34-20(17-9-11-18(12-10-17)27(28,29)30)14-23(35-25)38-21-7-5-8-22-24(21)36-26(39-22)33-16(2)37/h3-15H,1-2H3,(H,32,34,35)(H,33,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx |
Bioorg Med Chem Lett 17: 6539-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50225031
(CHEMBL251565 | tert-butyl 4-(4-(2-acetamidobenzo[d...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(n3)C3=CCN(CC3)C(=O)OC(C)(C)C)-c3ccc(cc3)C(F)(F)F)cccc2s1 |t:16| Show InChI InChI=1S/C30H28F3N5O4S/c1-17(39)34-27-37-25-22(6-5-7-23(25)43-27)41-24-16-21(18-8-10-20(11-9-18)30(31,32)33)35-26(36-24)19-12-14-38(15-13-19)28(40)42-29(2,3)4/h5-12,16H,13-15H2,1-4H3,(H,34,37,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of capsaicin induced calcium influx |
Bioorg Med Chem Lett 17: 6539-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252740
(CHEMBL494270 | N-Cyclopropyl-4-methyl-3-(1-((2-(4-...)Show SMILES Cc1ccc(cc1-c1ccc2c(NCCN3CCOCC3)nncc2c1)C(=O)NC1CC1 Show InChI InChI=1S/C25H29N5O2/c1-17-2-3-19(25(31)28-21-5-6-21)15-23(17)18-4-7-22-20(14-18)16-27-29-24(22)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,26,29)(H,28,31) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha (unknown origin) |
J Med Chem 51: 6271-9 (2008)
Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN |
More data for this
Ligand-Target Pair | |
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