Found 145 hits with Last Name = 'easson' and Initial = 'am' 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 |
|---|
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells |
Bioorg Med Chem Lett 21: 1748-53 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells |
Bioorg Med Chem Lett 21: 1748-53 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50416472
(CHEMBL1209708)Show SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1C[C@H](C)N(C)[C@H](C)C1 |r| Show InChI InChI=1S/C24H35N3O2/c1-17-13-27(14-18(2)25(17)3)24(28)21-16-26(15-19-9-6-5-7-10-19)23-20(21)11-8-12-22(23)29-4/h8,11-12,16-19H,5-7,9-10,13-15H2,1-4H3/t17-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells |
Bioorg Med Chem Lett 21: 1748-53 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50416472
(CHEMBL1209708)Show SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1C[C@H](C)N(C)[C@H](C)C1 |r| Show InChI InChI=1S/C24H35N3O2/c1-17-13-27(14-18(2)25(17)3)24(28)21-16-26(15-19-9-6-5-7-10-19)23-20(21)11-8-12-22(23)29-4/h8,11-12,16-19H,5-7,9-10,13-15H2,1-4H3/t17-,18+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells |
Bioorg Med Chem Lett 21: 1748-53 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
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| PDB
Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells |
Bioorg Med Chem Lett 21: 1748-53 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418012
(CHEMBL1682272)Show SMILES CN(CC(N)=O)Cc1nc(no1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C20H24ClN5O3/c1-25(11-17(22)27)12-18-23-20(24-29-18)15-10-26(9-13-5-7-28-8-6-13)19-14(15)3-2-4-16(19)21/h2-4,10,13H,5-9,11-12H2,1H3,(H2,22,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells |
Bioorg Med Chem Lett 21: 1748-53 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50418012
(CHEMBL1682272)Show SMILES CN(CC(N)=O)Cc1nc(no1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C20H24ClN5O3/c1-25(11-17(22)27)12-18-23-20(24-29-18)15-10-26(9-13-5-7-28-8-6-13)19-14(15)3-2-4-16(19)21/h2-4,10,13H,5-9,11-12H2,1H3,(H2,22,27) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells |
Bioorg Med Chem Lett 21: 1748-53 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
NCI pathway
Reactome pathway
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| Purchase
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PC cid
PC sid
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Patents
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| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells |
Bioorg Med Chem Lett 21: 1748-53 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418117
(CHEMBL1762815)Show SMILES CCc1sc(nc1CN(CCO)C(C)C)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C25H34ClN3O2S/c1-4-23-22(16-28(10-11-30)17(2)3)27-25(32-23)20-15-29(14-18-8-12-31-13-9-18)24-19(20)6-5-7-21(24)26/h5-7,15,17-18,30H,4,8-14,16H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418110
(CHEMBL1762804)Show SMILES COCCN(C)Cc1csc(n1)-c1cn(CC2CCCCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C23H30ClN3OS/c1-26(11-12-28-2)14-18-16-29-23(25-18)20-15-27(13-17-7-4-3-5-8-17)22-19(20)9-6-10-21(22)24/h6,9-10,15-17H,3-5,7-8,11-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418122
(CHEMBL1762814)Show SMILES CCN(CCO)Cc1nc(sc1CC)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C24H32ClN3O2S/c1-3-22-21(16-27(4-2)10-11-29)26-24(31-22)19-15-28(14-17-8-12-30-13-9-17)23-18(19)6-5-7-20(23)25/h5-7,15,17,29H,3-4,8-14,16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418118
(CHEMBL1762816)Show SMILES CC(C)N(CCO)Cc1nc(sc1Cl)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C23H29Cl2N3O2S/c1-15(2)27(8-9-29)14-20-22(25)31-23(26-20)18-13-28(12-16-6-10-30-11-7-16)21-17(18)4-3-5-19(21)24/h3-5,13,15-16,29H,6-12,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418116
(CHEMBL1762813)Show SMILES CCc1sc(nc1CN(C)CCO)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C23H30ClN3O2S/c1-3-21-20(15-26(2)9-10-28)25-23(30-21)18-14-27(13-16-7-11-29-12-8-16)22-17(18)5-4-6-19(22)24/h4-6,14,16,28H,3,7-13,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418109
(CHEMBL1760028)Show SMILES CCN(CC)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C22H28ClN3OS/c1-3-25(4-2)13-17-15-28-22(24-17)19-14-26(12-16-8-10-27-11-9-16)21-18(19)6-5-7-20(21)23/h5-7,14-16H,3-4,8-13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418107
(CHEMBL1762802)Show SMILES CCN(CC)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(F)cccc12 Show InChI InChI=1S/C22H28FN3OS/c1-3-25(4-2)13-17-15-28-22(24-17)19-14-26(12-16-8-10-27-11-9-16)21-18(19)6-5-7-20(21)23/h5-7,14-16H,3-4,8-13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418112
(CHEMBL1762807)Show SMILES CCN(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C22H28ClN3O2S/c1-2-25(8-9-27)13-17-15-29-22(24-17)19-14-26(12-16-6-10-28-11-7-16)21-18(19)4-3-5-20(21)23/h3-5,14-16,27H,2,6-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418108
(CHEMBL1762803)Show SMILES Clc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCCC2)cs1 Show InChI InChI=1S/C22H26ClN3OS/c23-20-5-3-4-18-19(14-26(21(18)20)12-16-6-10-27-11-7-16)22-24-17(15-28-22)13-25-8-1-2-9-25/h3-5,14-16H,1-2,6-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418119
(CHEMBL1762805)Show SMILES COCCN(C)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C22H28ClN3O2S/c1-25(8-11-27-2)13-17-15-29-22(24-17)19-14-26(12-16-6-9-28-10-7-16)21-18(19)4-3-5-20(21)23/h3-5,14-16H,6-13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50340099
(2-(((2-(7-chloro-1-((tetrahydro-2H-pyran-4-yl)meth...)Show SMILES CC(C)N(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C23H30ClN3O2S/c1-16(2)26(8-9-28)13-18-15-30-23(25-18)20-14-27(12-17-6-10-29-11-7-17)22-19(20)4-3-5-21(22)24/h3-5,14-17,28H,6-13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418105
(CHEMBL1762799)Show SMILES CCc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCCC2)cs1 Show InChI InChI=1S/C24H31N3OS/c1-2-19-6-5-7-21-22(16-27(23(19)21)14-18-8-12-28-13-9-18)24-25-20(17-29-24)15-26-10-3-4-11-26/h5-7,16-18H,2-4,8-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418185
(CHEMBL1761695)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNCC1CCC1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)16-9-7-15(8-10-16)21-19(13-27-12-14-3-1-4-14)20(29-32-21)22(31)28-17-5-2-6-18(30)11-17/h7-10,14,17-18,27,30H,1-6,11-13H2,(H,28,31)/t17-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418106
(CHEMBL1762800)Show SMILES CCN(CC)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(CC)cccc12 Show InChI InChI=1S/C24H33N3OS/c1-4-19-8-7-9-21-22(24-25-20(17-29-24)15-26(5-2)6-3)16-27(23(19)21)14-18-10-12-28-13-11-18/h7-9,16-18H,4-6,10-15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418120
(CHEMBL1762801)Show SMILES Fc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCCC2)cs1 Show InChI InChI=1S/C22H26FN3OS/c23-20-5-3-4-18-19(14-26(21(18)20)12-16-6-10-27-11-7-16)22-24-17(15-28-22)13-25-8-1-2-9-25/h3-5,14-16H,1-2,6-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418113
(CHEMBL1762810)Show SMILES COC1CCN(Cc2csc(n2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1 Show InChI InChI=1S/C24H30ClN3O2S/c1-29-19-5-9-27(10-6-19)14-18-16-31-24(26-18)21-15-28(13-17-7-11-30-12-8-17)23-20(21)3-2-4-22(23)25/h2-4,15-17,19H,5-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418111
(CHEMBL1762806)Show SMILES CN(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C21H26ClN3O2S/c1-24(7-8-26)12-16-14-28-21(23-16)18-13-25(11-15-5-9-27-10-6-15)20-17(18)3-2-4-19(20)22/h2-4,13-15,26H,5-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418115
(CHEMBL1762812)Show SMILES OCCN(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C22H28ClN3O3S/c23-20-3-1-2-18-19(14-26(21(18)20)12-16-4-10-29-11-5-16)22-24-17(15-30-22)13-25(6-8-27)7-9-28/h1-3,14-16,27-28H,4-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418121
(CHEMBL1762809)Show SMILES OC1CCN(Cc2csc(n2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1 Show InChI InChI=1S/C23H28ClN3O2S/c24-21-3-1-2-19-20(14-27(22(19)21)12-16-6-10-29-11-7-16)23-25-17(15-30-23)13-26-8-4-18(28)5-9-26/h1-3,14-16,18,28H,4-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418114
(CHEMBL1762811)Show SMILES Clc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCOCC2)cs1 Show InChI InChI=1S/C22H26ClN3O2S/c23-20-3-1-2-18-19(14-26(21(18)20)12-16-4-8-27-9-5-16)22-24-17(15-29-22)13-25-6-10-28-11-7-25/h1-3,14-16H,4-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 2541-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418184
(CHEMBL1761694)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNCC1CC1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C22H26F3N3O3/c23-22(24,25)15-8-6-14(7-9-15)20-18(12-26-11-13-4-5-13)19(28-31-20)21(30)27-16-2-1-3-17(29)10-16/h6-9,13,16-17,26,29H,1-5,10-12H2,(H,27,30)/t16-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418183
(CHEMBL1761688)Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C21H26F3N3O3/c1-12(2)25-11-17-18(20(29)26-15-4-3-5-16(28)10-15)27-30-19(17)13-6-8-14(9-7-13)21(22,23)24/h6-9,12,15-16,25,28H,3-5,10-11H2,1-2H3,(H,26,29)/t15-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418183
(CHEMBL1761688)Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C21H26F3N3O3/c1-12(2)25-11-17-18(20(29)26-15-4-3-5-16(28)10-15)27-30-19(17)13-6-8-14(9-7-13)21(22,23)24/h6-9,12,15-16,25,28H,3-5,10-11H2,1-2H3,(H,26,29)/t15-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of labeled-dofetilide from human ERG |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418012
(CHEMBL1682272)Show SMILES CN(CC(N)=O)Cc1nc(no1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C20H24ClN5O3/c1-25(11-17(22)27)12-18-23-20(24-29-18)15-10-26(9-13-5-7-28-8-6-13)19-14(15)3-2-4-16(19)21/h2-4,10,13H,5-9,11-12H2,1H3,(H2,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG channel in HEK293 cells |
Bioorg Med Chem Lett 21: 1748-53 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418189
(CHEMBL1761696)Show SMILES C[C@H](NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F6N3O3/c1-11(20(22,23)24)28-10-16-17(19(32)29-14-3-2-4-15(31)9-14)30-33-18(16)12-5-7-13(8-6-12)21(25,26)27/h5-8,11,14-15,28,31H,2-4,9-10H2,1H3,(H,29,32)/t11-,14+,15-/m0/s1 | 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 | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50336144
((1R,3S)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(tri...)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m1/s1 | 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 | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418961
(CHEMBL1807877)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C16H15Cl2FN2O3/c17-11-5-4-8(6-12(11)19)15-13(18)14(21-24-15)16(23)20-9-2-1-3-10(22)7-9/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/m1/s1 | 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 | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418959
(CHEMBL1807875)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C17H15ClF4N2O3/c18-13-14(16(26)23-9-2-1-3-10(25)7-9)24-27-15(13)8-4-5-11(12(19)6-8)17(20,21)22/h4-6,9-10,25H,1-3,7H2,(H,23,26)/t9-,10+/m1/s1 | 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 | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418188
(CHEMBL1761693)Show SMILES CC(C)CNCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C22H28F3N3O3/c1-13(2)11-26-12-18-19(21(30)27-16-4-3-5-17(29)10-16)28-31-20(18)14-6-8-15(9-7-14)22(23,24)25/h6-9,13,16-17,26,29H,3-5,10-12H2,1-2H3,(H,27,30)/t16-,17+/m1/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418185
(CHEMBL1761695)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNCC1CCC1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)16-9-7-15(8-10-16)21-19(13-27-12-14-3-1-4-14)20(29-32-21)22(31)28-17-5-2-6-18(30)11-17/h7-10,14,17-18,27,30H,1-6,11-13H2,(H,28,31)/t17-,18+/m1/s1 | 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 | 1.26 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418981
(CHEMBL1807878)Show SMILES Cc1c(noc1-c1ccc(c(F)c1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C18H18F4N2O3/c1-9-15(17(26)23-11-3-2-4-12(25)8-11)24-27-16(9)10-5-6-13(14(19)7-10)18(20,21)22/h5-7,11-12,25H,2-4,8H2,1H3,(H,23,26)/t11-,12+/m1/s1 | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418193
(CHEMBL1761700)Show SMILES CC(C)[C@H](CO)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C23H30F3N3O4/c1-13(2)19(12-30)27-11-18-20(22(32)28-16-4-3-5-17(31)10-16)29-33-21(18)14-6-8-15(9-7-14)23(24,25)26/h6-9,13,16-17,19,27,30-31H,3-5,10-12H2,1-2H3,(H,28,32)/t16-,17+,19+/m1/s1 | 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 | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50336144
((1R,3S)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(tri...)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m1/s1 | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay |
Bioorg Med Chem Lett 21: 892-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418965
(CHEMBL1807883)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1onc(c1Cl)-c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C16H15Cl2FN2O3/c17-11-5-4-8(6-12(11)19)14-13(18)15(24-21-14)16(23)20-9-2-1-3-10(22)7-9/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/m1/s1 | 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 | 3.16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418194
(CHEMBL1761702)Show SMILES CC(C)(CO)CNCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C23H30F3N3O4/c1-22(2,13-30)12-27-11-18-19(21(32)28-16-4-3-5-17(31)10-16)29-33-20(18)14-6-8-15(9-7-14)23(24,25)26/h6-9,16-17,27,30-31H,3-5,10-13H2,1-2H3,(H,28,32)/t16-,17+/m1/s1 | 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 | 3.16 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418187
(CHEMBL1761691)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNC1CC1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H24F3N3O3/c22-21(23,24)13-6-4-12(5-7-13)19-17(11-25-14-8-9-14)18(27-30-19)20(29)26-15-2-1-3-16(28)10-15/h4-7,14-16,25,28H,1-3,8-11H2,(H,26,29)/t15-,16+/m1/s1 | 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 | 3.16 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418964
(CHEMBL1807882)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1onc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(9-4-6-10(7-5-9)17(19,20)21)23-26-15(13)16(25)22-11-2-1-3-12(24)8-11/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m1/s1 | 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 | 3.98 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418202
(CHEMBL1761706)Show SMILES CN(C[C@@H]1CCCO1)Cc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C24H30F3N3O4/c1-30(13-19-6-3-11-33-19)14-20-21(23(32)28-17-4-2-5-18(31)12-17)29-34-22(20)15-7-9-16(10-8-15)24(25,26)27/h7-10,17-19,31H,2-6,11-14H2,1H3,(H,28,32)/t17-,18+,19+/m1/s1 | 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 | 5.01 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418960
(CHEMBL1807876)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H16Cl2N2O3/c17-10-6-4-9(5-7-10)15-13(18)14(20-23-15)16(22)19-11-2-1-3-12(21)8-11/h4-7,11-12,21H,1-3,8H2,(H,19,22)/t11-,12+/m1/s1 | 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 | 5.01 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50336143
((1S,3R)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(tri...)Show SMILES O[C@@H]1CCC[C@@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m0/s1 | 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 | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay |
Bioorg Med Chem Lett 21: 892-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418184
(CHEMBL1761694)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNCC1CC1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C22H26F3N3O3/c23-22(24,25)15-8-6-14(7-9-15)20-18(12-26-11-13-4-5-13)19(28-31-20)21(30)27-16-2-1-3-17(29)10-16/h6-9,13,16-17,26,29H,1-5,10-12H2,(H,27,30)/t16-,17+/m1/s1 | 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 | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418196
(CHEMBL1761704)Show SMILES COCCN(C)Cc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C22H28F3N3O4/c1-28(10-11-31-2)13-18-19(21(30)26-16-4-3-5-17(29)12-16)27-32-20(18)14-6-8-15(9-7-14)22(23,24)25/h6-9,16-17,29H,3-5,10-13H2,1-2H3,(H,26,30)/t16-,17+/m1/s1 | 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 | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay |
Bioorg Med Chem Lett 21: 2559-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN |
More data for this
Ligand-Target Pair | |
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