Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50039686 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)) | BDBM50382329
(CHEMBL2022405)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-7-9-18(30)10-8-17)28-29(20-11-6-16(25)12-19(20)26)22(13)14-2-4-15(24)5-3-14/h2-12,30H,1H3,(H,27,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from CB1 receptor after 90 mins by liquid scintillation counting |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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| DrugBank
Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from CB1 receptor after 90 mins by liquid scintillation counting |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
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
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
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| Purchase
CHEMBL
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PC cid
PC sid
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| Article
PubMed
| 45.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from CB1 receptor after 90 mins by liquid scintillation counting |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50382327
(CHEMBL2022403)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1 Show InChI InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from CB1 receptor after 90 mins by liquid scintillation counting |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50382328
(CHEMBL2022404)Show SMILES CCOC(=O)C(C)(C)Oc1cccc(NC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C29H26Cl3N3O4/c1-5-38-28(37)29(3,4)39-22-8-6-7-21(16-22)33-27(36)25-17(2)26(18-9-11-19(30)12-10-18)35(34-25)24-14-13-20(31)15-23(24)32/h6-16H,5H2,1-4H3,(H,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from CB1 receptor after 90 mins by liquid scintillation counting |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50382330
(CHEMBL2022406)Show SMILES CCOC(=O)C(C)(C)Oc1ccc(NC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C29H26Cl3N3O4/c1-5-38-28(37)29(3,4)39-22-13-11-21(12-14-22)33-27(36)25-17(2)26(18-6-8-19(30)9-7-18)35(34-25)24-15-10-20(31)16-23(24)32/h6-16H,5H2,1-4H3,(H,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from CB1 receptor after 90 mins by liquid scintillation counting |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50382328
(CHEMBL2022404)Show SMILES CCOC(=O)C(C)(C)Oc1cccc(NC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C29H26Cl3N3O4/c1-5-38-28(37)29(3,4)39-22-8-6-7-21(16-22)33-27(36)25-17(2)26(18-9-11-19(30)12-10-18)35(34-25)24-14-13-20(31)15-23(24)32/h6-16H,5H2,1-4H3,(H,33,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 856 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50382329
(CHEMBL2022405)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-7-9-18(30)10-8-17)28-29(20-11-6-16(25)12-19(20)26)22(13)14-2-4-15(24)5-3-14/h2-12,30H,1H3,(H,27,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 971 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50382330
(CHEMBL2022406)Show SMILES CCOC(=O)C(C)(C)Oc1ccc(NC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C29H26Cl3N3O4/c1-5-38-28(37)29(3,4)39-22-13-11-21(12-14-22)33-27(36)25-17(2)26(18-6-8-19(30)9-7-18)35(34-25)24-15-10-20(31)16-23(24)32/h6-16H,5H2,1-4H3,(H,33,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50382327
(CHEMBL2022403)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1 Show InChI InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 887 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB
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PC sid
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 542 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM29080
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9- | PDB
UniProtKB/SwissProt
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CHEMBL
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 185 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50382328
(CHEMBL2022404)Show SMILES CCOC(=O)C(C)(C)Oc1cccc(NC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C29H26Cl3N3O4/c1-5-38-28(37)29(3,4)39-22-8-6-7-21(16-22)33-27(36)25-17(2)26(18-9-11-19(30)12-10-18)35(34-25)24-14-13-20(31)15-23(24)32/h6-16H,5H2,1-4H3,(H,33,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 743 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 16 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50382327
(CHEMBL2022403)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1 Show InChI InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 989 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 16 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM29080
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 152 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 16 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB
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| Purchase
CHEMBL
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 650 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 16 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 2: 793-797 (2011)
Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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