Found 101 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157631
(CHEMBL3785736)Show SMILES Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of hypo osm... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157698
(CHEMBL3787249)Show SMILES Cc1ccnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C19H16ClN5O2/c1-12-8-9-21-18-17(12)19(26)25(11-22-18)10-16-23-15(24-27-16)7-4-13-2-5-14(20)6-3-13/h2-3,5-6,8-9,11H,4,7,10H2,1H3 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157631
(CHEMBL3785736)Show SMILES Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of methylgl... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157631
(CHEMBL3785736)Show SMILES Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157631
(CHEMBL3785736)Show SMILES Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157652
(CHEMBL3785110)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-15-22-16(26-23-15)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157700
(CHEMBL3786037)Show SMILES Cn1ncc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-16-13(8-20-23)19-10-24(17(16)25)9-15-21-14(22-26-15)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,8,10H,4,7,9H2,1H3 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157703
(CHEMBL3785133)Show SMILES FC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H13ClFN5O2/c19-12-5-3-11(4-6-12)14(20)8-15-23-16(27-24-15)9-25-10-22-17-13(18(25)26)2-1-7-21-17/h1-7,10,14H,8-9H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157698
(CHEMBL3787249)Show SMILES Cc1ccnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C19H16ClN5O2/c1-12-8-9-21-18-17(12)19(26)25(11-22-18)10-16-23-15(24-27-16)7-4-13-2-5-14(20)6-3-13/h2-3,5-6,8-9,11H,4,7,10H2,1H3 | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157703
(CHEMBL3785133)Show SMILES FC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H13ClFN5O2/c19-12-5-3-11(4-6-12)14(20)8-15-23-16(27-24-15)9-25-10-22-17-13(18(25)26)2-1-7-21-17/h1-7,10,14H,8-9H2 | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157652
(CHEMBL3785110)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-15-22-16(26-23-15)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157700
(CHEMBL3786037)Show SMILES Cn1ncc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-16-13(8-20-23)19-10-24(17(16)25)9-15-21-14(22-26-15)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,8,10H,4,7,9H2,1H3 | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157707
(CHEMBL3787359)Show SMILES C\C(=C/c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-9,11H,10H2,1H3/b12-9+ | PDB
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| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157709
(CHEMBL3786508)Show SMILES C\C(=C/c1noc(Cn2cnc3ncn(C)c3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN6O2/c1-11(12-3-5-13(19)6-4-12)7-14-22-15(27-23-14)8-25-10-21-17-16(18(25)26)24(2)9-20-17/h3-7,9-10H,8H2,1-2H3/b11-7+ | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157642
(CHEMBL3787289)Show InChI InChI=1S/C19H15ClN4O2/c20-15-6-4-13(5-7-15)8-9-22-17(25)11-24-12-23-18-14(10-21)2-1-3-16(18)19(24)26/h1-7,12H,8-9,11H2,(H,22,25) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157702
(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)Show SMILES OC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClN5O3/c19-12-5-3-11(4-6-12)14(25)8-15-22-16(27-23-15)9-24-10-21-17-13(18(24)26)2-1-7-20-17/h1-7,10,14,25H,8-9H2 | PDB
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157709
(CHEMBL3786508)Show SMILES C\C(=C/c1noc(Cn2cnc3ncn(C)c3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN6O2/c1-11(12-3-5-13(19)6-4-12)7-14-22-15(27-23-14)8-25-10-21-17-16(18(25)26)24(2)9-20-17/h3-7,9-10H,8H2,1-2H3/b11-7+ | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157630
(CHEMBL3787125)Show InChI InChI=1S/C19H18ClN3O2/c1-13-3-2-4-16-18(13)19(25)23(12-22-16)11-17(24)21-10-9-14-5-7-15(20)8-6-14/h2-8,12H,9-11H2,1H3,(H,21,24) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157631
(CHEMBL3785736)Show SMILES Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157709
(CHEMBL3786508)Show SMILES C\C(=C/c1noc(Cn2cnc3ncn(C)c3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN6O2/c1-11(12-3-5-13(19)6-4-12)7-14-22-15(27-23-14)8-25-10-21-17-16(18(25)26)24(2)9-20-17/h3-7,9-10H,8H2,1-2H3/b11-7+ | PDB
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Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157709
(CHEMBL3786508)Show SMILES C\C(=C/c1noc(Cn2cnc3ncn(C)c3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN6O2/c1-11(12-3-5-13(19)6-4-12)7-14-22-15(27-23-14)8-25-10-21-17-16(18(25)26)24(2)9-20-17/h3-7,9-10H,8H2,1-2H3/b11-7+ | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157702
(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)Show SMILES OC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClN5O3/c19-12-5-3-11(4-6-12)14(25)8-15-22-16(27-23-15)9-24-10-21-17-13(18(24)26)2-1-7-20-17/h1-7,10,14,25H,8-9H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157707
(CHEMBL3787359)Show SMILES C\C(=C/c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-9,11H,10H2,1H3/b12-9+ | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157651
(CHEMBL3787566)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-16-22-15(23-26-16)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157705
(CHEMBL3787353)Show SMILES CC(Cc1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-8,11-12H,9-10H2,1H3 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157707
(CHEMBL3787359)Show SMILES C\C(=C/c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-9,11H,10H2,1H3/b12-9+ | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157630
(CHEMBL3787125)Show InChI InChI=1S/C19H18ClN3O2/c1-13-3-2-4-16-18(13)19(25)23(12-22-16)11-17(24)21-10-9-14-5-7-15(20)8-6-14/h2-8,12H,9-11H2,1H3,(H,21,24) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157696
(CHEMBL3786810)Show InChI InChI=1S/C17H13ClN6O2/c18-12-4-1-11(2-5-12)3-6-14-22-15(26-23-14)8-24-10-21-16-13(17(24)25)7-19-9-20-16/h1-2,4-5,7,9-10H,3,6,8H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157707
(CHEMBL3787359)Show SMILES C\C(=C/c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-9,11H,10H2,1H3/b12-9+ | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157652
(CHEMBL3785110)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-15-22-16(26-23-15)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157631
(CHEMBL3785736)Show SMILES Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
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| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157695
(CHEMBL3785216)Show InChI InChI=1S/C17H13ClN6O2/c18-12-4-1-11(2-5-12)3-6-14-21-15(26-23-14)9-24-10-19-16-13(17(24)25)7-8-20-22-16/h1-2,4-5,7-8,10H,3,6,9H2 | PDB
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| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157699
(CHEMBL3785390)Show SMILES Cn1cnc2ncn(Cc3noc(CCc4ccc(Cl)cc4)n3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-13-21-14(26-22-13)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157710
(CHEMBL3787204)Show SMILES Cc1cccc2c1ncn(CC(=O)NCCc1ccc(OC(F)F)cc1)c2=O Show InChI InChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157705
(CHEMBL3787353)Show SMILES CC(Cc1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-8,11-12H,9-10H2,1H3 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157696
(CHEMBL3786810)Show InChI InChI=1S/C17H13ClN6O2/c18-12-4-1-11(2-5-12)3-6-14-22-15(26-23-14)8-24-10-21-16-13(17(24)25)7-19-9-20-16/h1-2,4-5,7,9-10H,3,6,8H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157651
(CHEMBL3787566)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-16-22-15(23-26-16)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157708
(CHEMBL3786010)Show SMILES C\C(=C/c1nc(Cn2cnc3ncn(C)c3c2=O)no1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN6O2/c1-11(12-3-5-13(19)6-4-12)7-15-22-14(23-27-15)8-25-10-21-17-16(18(25)26)24(2)9-20-17/h3-7,9-10H,8H2,1-2H3/b11-7+ | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157695
(CHEMBL3785216)Show InChI InChI=1S/C17H13ClN6O2/c18-12-4-1-11(2-5-12)3-6-14-21-15(26-23-14)9-24-10-19-16-13(17(24)25)7-8-20-22-16/h1-2,4-5,7-8,10H,3,6,9H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157642
(CHEMBL3787289)Show InChI InChI=1S/C19H15ClN4O2/c20-15-6-4-13(5-7-15)8-9-22-17(25)11-24-12-23-18-14(10-21)2-1-3-16(18)19(24)26/h1-7,12H,8-9,11H2,(H,22,25) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157702
(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)Show SMILES OC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClN5O3/c19-12-5-3-11(4-6-12)14(25)8-15-22-16(27-23-15)9-24-10-21-17-13(18(24)26)2-1-7-20-17/h1-7,10,14,25H,8-9H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157699
(CHEMBL3785390)Show SMILES Cn1cnc2ncn(Cc3noc(CCc4ccc(Cl)cc4)n3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-13-21-14(26-22-13)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157702
(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)Show SMILES OC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClN5O3/c19-12-5-3-11(4-6-12)14(25)8-15-22-16(27-23-15)9-24-10-21-17-13(18(24)26)2-1-7-20-17/h1-7,10,14,25H,8-9H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157629
(CHEMBL3786110)Show InChI InChI=1S/C19H18ClN3O2/c1-13-2-7-17-16(10-13)19(25)23(12-22-17)11-18(24)21-9-8-14-3-5-15(20)6-4-14/h2-7,10,12H,8-9,11H2,1H3,(H,21,24) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157708
(CHEMBL3786010)Show SMILES C\C(=C/c1nc(Cn2cnc3ncn(C)c3c2=O)no1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN6O2/c1-11(12-3-5-13(19)6-4-12)7-15-22-14(23-27-15)8-25-10-21-17-16(18(25)26)24(2)9-20-17/h3-7,9-10H,8H2,1-2H3/b11-7+ | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157634
(CHEMBL3786619)Show SMILES FC(F)(F)c1cccc2c1ncn(CC(=O)NCCc1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C19H15ClF3N3O2/c20-13-6-4-12(5-7-13)8-9-24-16(27)10-26-11-25-17-14(18(26)28)2-1-3-15(17)19(21,22)23/h1-7,11H,8-10H2,(H,24,27) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157629
(CHEMBL3786110)Show InChI InChI=1S/C19H18ClN3O2/c1-13-2-7-17-16(10-13)19(25)23(12-22-17)11-18(24)21-9-8-14-3-5-15(20)6-4-14/h2-7,10,12H,8-9,11H2,1H3,(H,21,24) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157634
(CHEMBL3786619)Show SMILES FC(F)(F)c1cccc2c1ncn(CC(=O)NCCc1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C19H15ClF3N3O2/c20-13-6-4-12(5-7-13)8-9-24-16(27)10-26-11-25-17-14(18(26)28)2-1-3-15(17)19(21,22)23/h1-7,11H,8-10H2,(H,24,27) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157697
(CHEMBL3786920)Show InChI InChI=1S/C17H13ClN6O2/c18-12-4-1-11(2-5-12)3-6-13-22-14(26-23-13)9-24-10-21-16-15(17(24)25)19-7-8-20-16/h1-2,4-5,7-8,10H,3,6,9H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157624
(CHEMBL3787010)Show InChI InChI=1S/C19H18ClN3O2/c1-13-3-2-4-16-18(13)22-12-23(19(16)25)11-17(24)21-10-9-14-5-7-15(20)8-6-14/h2-8,12H,9-11H2,1H3,(H,21,24) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157652
(CHEMBL3785110)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-15-22-16(26-23-15)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157651
(CHEMBL3787566)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-16-22-15(23-26-16)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157706
(CHEMBL3787029)Show SMILES Clc1ccc(\C=C\c2nc(Cn3cnc4ncccc4c3=O)no2)cc1 Show InChI InChI=1S/C18H12ClN5O2/c19-13-6-3-12(4-7-13)5-8-16-22-15(23-26-16)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-9,11H,10H2/b8-5+ | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157710
(CHEMBL3787204)Show SMILES Cc1cccc2c1ncn(CC(=O)NCCc1ccc(OC(F)F)cc1)c2=O Show InChI InChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157635
(CHEMBL3787443)Show InChI InChI=1S/C18H15ClFN3O2/c19-13-6-4-12(5-7-13)8-9-21-16(24)10-23-11-22-17-14(18(23)25)2-1-3-15(17)20/h1-7,11H,8-10H2,(H,21,24) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157624
(CHEMBL3787010)Show InChI InChI=1S/C19H18ClN3O2/c1-13-3-2-4-16-18(13)22-12-23(19(16)25)11-17(24)21-10-9-14-5-7-15(20)8-6-14/h2-8,12H,9-11H2,1H3,(H,21,24) | PDB
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| n/a | n/a | 802 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157697
(CHEMBL3786920)Show InChI InChI=1S/C17H13ClN6O2/c18-12-4-1-11(2-5-12)3-6-13-22-14(26-23-13)9-24-10-21-16-15(17(24)25)19-7-8-20-16/h1-2,4-5,7-8,10H,3,6,9H2 | PDB
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| n/a | n/a | 918 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157706
(CHEMBL3787029)Show SMILES Clc1ccc(\C=C\c2nc(Cn3cnc4ncccc4c3=O)no2)cc1 Show InChI InChI=1S/C18H12ClN5O2/c19-13-6-3-12(4-7-13)5-8-16-22-15(23-26-16)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-9,11H,10H2/b8-5+ | PDB
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| n/a | n/a | 933 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157650
(CHEMBL3786811)Show InChI InChI=1S/C17H15ClN4O2/c18-13-3-1-12(2-4-13)5-8-20-16(23)10-22-11-21-15-9-19-7-6-14(15)17(22)24/h1-4,6-7,9,11H,5,8,10H2,(H,20,23) | PDB
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| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157649
(CHEMBL3785649)Show InChI InChI=1S/C17H15ClN4O2/c18-13-5-3-12(4-6-13)7-9-19-15(23)10-22-11-21-16-14(17(22)24)2-1-8-20-16/h1-6,8,11H,7,9-10H2,(H,19,23) | PDB
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| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157649
(CHEMBL3785649)Show InChI InChI=1S/C17H15ClN4O2/c18-13-5-3-12(4-6-13)7-9-19-15(23)10-22-11-21-16-14(17(22)24)2-1-8-20-16/h1-6,8,11H,7,9-10H2,(H,19,23) | PDB
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| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157635
(CHEMBL3787443)Show InChI InChI=1S/C18H15ClFN3O2/c19-13-6-4-12(5-7-13)8-9-21-16(24)10-23-11-22-17-14(18(23)25)2-1-3-15(17)20/h1-7,11H,8-10H2,(H,21,24) | PDB
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PubMed
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157711
(CHEMBL3786008)Show InChI InChI=1S/C20H21N3O3/c1-14-4-3-5-17-19(14)22-13-23(20(17)25)12-18(24)21-11-10-15-6-8-16(26-2)9-7-15/h3-9,13H,10-12H2,1-2H3,(H,21,24) | PDB
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| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157701
(CHEMBL3787097)Show InChI InChI=1S/C17H13ClN6O2/c18-13-5-3-11(8-20-13)4-6-14-22-15(26-23-14)9-24-10-21-16-12(17(24)25)2-1-7-19-16/h1-3,5,7-8,10H,4,6,9H2 | PDB
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| n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157690
(CHEMBL3787328)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-15-22-23-16(26-15)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157636
(CHEMBL3786836)Show InChI InChI=1S/C19H18ClN3O3/c1-26-16-4-2-3-15-18(16)22-12-23(19(15)25)11-17(24)21-10-9-13-5-7-14(20)8-6-13/h2-8,12H,9-11H2,1H3,(H,21,24) | PDB
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| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157651
(CHEMBL3787566)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-16-22-15(23-26-16)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157650
(CHEMBL3786811)Show InChI InChI=1S/C17H15ClN4O2/c18-13-3-1-12(2-4-13)5-8-20-16(23)10-22-11-21-15-9-19-7-6-14(15)17(22)24/h1-4,6-7,9,11H,5,8,10H2,(H,20,23) | PDB
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| n/a | n/a | 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157701
(CHEMBL3787097)Show InChI InChI=1S/C17H13ClN6O2/c18-13-5-3-11(8-20-13)4-6-14-22-15(26-23-14)9-24-10-21-16-12(17(24)25)2-1-7-19-16/h1-3,5,7-8,10H,4,6,9H2 | PDB
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| n/a | n/a | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157636
(CHEMBL3786836)Show InChI InChI=1S/C19H18ClN3O3/c1-26-16-4-2-3-15-18(16)22-12-23(19(15)25)11-17(24)21-10-9-13-5-7-14(20)8-6-13/h2-8,12H,9-11H2,1H3,(H,21,24) | PDB
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| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157690
(CHEMBL3787328)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-15-22-23-16(26-15)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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| n/a | n/a | 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157710
(CHEMBL3787204)Show SMILES Cc1cccc2c1ncn(CC(=O)NCCc1ccc(OC(F)F)cc1)c2=O Show InChI InChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26) | PDB
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| n/a | n/a | 2.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157627
(CHEMBL3785326)Show InChI InChI=1S/C19H18ClN3O2/c1-13-2-7-16-17(10-13)22-12-23(19(16)25)11-18(24)21-9-8-14-3-5-15(20)6-4-14/h2-7,10,12H,8-9,11H2,1H3,(H,21,24) | PDB
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| n/a | n/a | >4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157710
(CHEMBL3787204)Show SMILES Cc1cccc2c1ncn(CC(=O)NCCc1ccc(OC(F)F)cc1)c2=O Show InChI InChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26) | PDB
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| n/a | n/a | 6.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157712
(CHEMBL3785171)Show InChI InChI=1S/C19H19N3O2/c1-14-6-5-9-16-18(14)21-13-22(19(16)24)12-17(23)20-11-10-15-7-3-2-4-8-15/h2-9,13H,10-12H2,1H3,(H,20,23) | PDB
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| n/a | n/a | >8.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157627
(CHEMBL3785326)Show InChI InChI=1S/C19H18ClN3O2/c1-13-2-7-16-17(10-13)22-12-23(19(16)25)11-18(24)21-9-8-14-3-5-15(20)6-4-14/h2-7,10,12H,8-9,11H2,1H3,(H,21,24) | PDB
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| n/a | n/a | >1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157623
(CHEMBL3786654)Show InChI InChI=1S/C20H21N3O3/c1-14-6-5-8-16-19(14)22-13-23(20(16)25)12-18(24)21-11-10-15-7-3-4-9-17(15)26-2/h3-9,13H,10-12H2,1-2H3,(H,21,24) | PDB
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| n/a | n/a | >1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157623
(CHEMBL3786654)Show InChI InChI=1S/C20H21N3O3/c1-14-6-5-8-16-19(14)22-13-23(20(16)25)12-18(24)21-11-10-15-7-3-4-9-17(15)26-2/h3-9,13H,10-12H2,1-2H3,(H,21,24) | PDB
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| n/a | n/a | >1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157622
(CHEMBL3785109)Show InChI InChI=1S/C20H21N3O3/c1-14-5-3-8-17-19(14)22-13-23(20(17)25)12-18(24)21-10-9-15-6-4-7-16(11-15)26-2/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24) | PDB
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| n/a | n/a | >1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157625
(CHEMBL3785898)Show InChI InChI=1S/C18H16ClN3O2/c19-14-7-5-13(6-8-14)9-10-20-17(23)11-22-12-21-16-4-2-1-3-15(16)18(22)24/h1-8,12H,9-11H2,(H,20,23) | PDB
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| n/a | n/a | >1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157622
(CHEMBL3785109)Show InChI InChI=1S/C20H21N3O3/c1-14-5-3-8-17-19(14)22-13-23(20(17)25)12-18(24)21-10-9-15-6-4-7-16(11-15)26-2/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,24) | PDB
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| n/a | n/a | >1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50157710
(CHEMBL3787204)Show SMILES Cc1cccc2c1ncn(CC(=O)NCCc1ccc(OC(F)F)cc1)c2=O Show InChI InChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26) | PDB
MMDB
Reactome pathway
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 2.5 mins followed ... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 3
(Homo sapiens (Human)) | BDBM50157710
(CHEMBL3787204)Show SMILES Cc1cccc2c1ncn(CC(=O)NCCc1ccc(OC(F)F)cc1)c2=O Show InChI InChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26) | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV3 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of 2-ABP-... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157710
(CHEMBL3787204)Show SMILES Cc1cccc2c1ncn(CC(=O)NCCc1ccc(OC(F)F)cc1)c2=O Show InChI InChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26) | PDB
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| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as increase in Ca2+ influx... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157710
(CHEMBL3787204)Show SMILES Cc1cccc2c1ncn(CC(=O)NCCc1ccc(OC(F)F)cc1)c2=O Show InChI InChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26) | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as increase in Ca2+ influx m... |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50157631
(CHEMBL3785736)Show SMILES Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
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| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis in presence of NADPH |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50157631
(CHEMBL3785736)Show SMILES Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
MMDB
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| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis in presence of NADPH |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157710
(CHEMBL3787204)Show SMILES Cc1cccc2c1ncn(CC(=O)NCCc1ccc(OC(F)F)cc1)c2=O Show InChI InChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26) | PDB
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| n/a | n/a | n/a | n/a | >4.70E+4 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157651
(CHEMBL3787566)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-16-22-15(23-26-16)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157652
(CHEMBL3785110)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-15-22-16(26-23-15)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157707
(CHEMBL3787359)Show SMILES C\C(=C/c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-9,11H,10H2,1H3/b12-9+ | PDB
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| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157651
(CHEMBL3787566)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-16-22-15(23-26-16)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157631
(CHEMBL3785736)Show SMILES Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
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| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157710
(CHEMBL3787204)Show SMILES Cc1cccc2c1ncn(CC(=O)NCCc1ccc(OC(F)F)cc1)c2=O Show InChI InChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26) | PDB
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| n/a | n/a | n/a | n/a | >4.70E+4 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157631
(CHEMBL3785736)Show SMILES Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 Show InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | PDB
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| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157702
(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)Show SMILES OC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClN5O3/c19-12-5-3-11(4-6-12)14(25)8-15-22-16(27-23-15)9-24-10-21-17-13(18(24)26)2-1-7-20-17/h1-7,10,14,25H,8-9H2 | PDB
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| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157652
(CHEMBL3785110)Show InChI InChI=1S/C18H14ClN5O2/c19-13-6-3-12(4-7-13)5-8-15-22-16(26-23-15)10-24-11-21-17-14(18(24)25)2-1-9-20-17/h1-4,6-7,9,11H,5,8,10H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157709
(CHEMBL3786508)Show SMILES C\C(=C/c1noc(Cn2cnc3ncn(C)c3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN6O2/c1-11(12-3-5-13(19)6-4-12)7-14-22-15(27-23-14)8-25-10-21-17-16(18(25)26)24(2)9-20-17/h3-7,9-10H,8H2,1-2H3/b11-7+ | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50157709
(CHEMBL3786508)Show SMILES C\C(=C/c1noc(Cn2cnc3ncn(C)c3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN6O2/c1-11(12-3-5-13(19)6-4-12)7-14-22-15(27-23-14)8-25-10-21-17-16(18(25)26)24(2)9-20-17/h3-7,9-10H,8H2,1-2H3/b11-7+ | PDB
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| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157702
(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)Show SMILES OC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClN5O3/c19-12-5-3-11(4-6-12)14(25)8-15-22-16(27-23-15)9-24-10-21-17-13(18(24)26)2-1-7-20-17/h1-7,10,14,25H,8-9H2 | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50157707
(CHEMBL3787359)Show SMILES C\C(=C/c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-9,11H,10H2,1H3/b12-9+ | PDB
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Amgen, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay |
J Med Chem 59: 2794-809 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00039
BindingDB Entry DOI: 10.7270/Q2F47R17 |
More data for this
Ligand-Target Pair | |
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