Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50031491 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)) | BDBM50200841
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314119
(3-(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-pivaloy...)Show SMILES CN(C)C(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C Show InChI InChI=1S/C27H25Cl2N3O3/c1-27(2,3)24(33)23-22(31-26(34)32(4)5)19-14-18(15-10-12-16(28)13-11-15)21(30-25(19)35-23)17-8-6-7-9-20(17)29/h6-14H,1-5H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314122
(CHEMBL1091832 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O4/c1-13(2)23(32)24-22(28-20(31)12-30)18-11-17(14-7-9-15(26)10-8-14)21(29-25(18)33-24)16-5-3-4-6-19(16)27/h3-11,13,30H,12H2,1-2H3,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314118
(CHEMBL1090402 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C Show InChI InChI=1S/C26H22Cl2N2O3/c1-14(31)29-22-19-13-18(15-9-11-16(27)12-10-15)21(17-7-5-6-8-20(17)28)30-25(19)33-23(22)24(32)26(2,3)4/h5-13H,1-4H3,(H,29,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314121
(CHEMBL1089032 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H22Cl2N2O4/c1-26(2,3)24(33)23-22(29-20(32)13-31)18-12-17(14-8-10-15(27)11-9-14)21(30-25(18)34-23)16-6-4-5-7-19(16)28/h4-12,31H,13H2,1-3H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314120
(CHEMBL1090404 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CNCC(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C Show InChI InChI=1S/C27H25Cl2N3O3/c1-27(2,3)25(34)24-23(31-21(33)14-30-4)19-13-18(15-9-11-16(28)12-10-15)22(32-26(19)35-24)17-7-5-6-8-20(17)29/h5-13,30H,14H2,1-4H3,(H,31,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314113
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)Show SMILES CC(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H18Cl2N2O2/c1-12(2)21(28)22-19(26)17-11-16(13-7-9-14(24)10-8-13)20(27-23(17)29-22)15-5-3-4-6-18(15)25/h3-12H,26H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50259339
(5-tert-butyl-8-(2-chlorophenyl)-9-(4-chlorophenyl)...)Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c2n[nH]c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H19Cl2N5O/c1-24(2,3)22-28-20-17(21-29-30-23(32)31(21)22)12-16(13-8-10-14(25)11-9-13)19(27-20)15-6-4-5-7-18(15)26/h4-12H,1-3H3,(H,30,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314112
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)Show SMILES CC(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H17Cl3N2O2/c1-11(2)21(29)22-19(27)17-10-16(12-3-5-13(24)6-4-12)20(28-23(17)30-22)15-8-7-14(25)9-18(15)26/h3-11H,27H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314114
((3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)...)Show SMILES Nc1c(oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H15Cl3N2O2/c27-16-8-6-14(7-9-16)19-13-20-22(30)25(24(32)15-4-2-1-3-5-15)33-26(20)31-23(19)18-11-10-17(28)12-21(18)29/h1-13H,30H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314108
(CHEMBL1092169 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314116
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H20Cl2N2O2/c1-24(2,3)22(29)21-19(27)17-12-16(13-8-10-14(25)11-9-13)20(28-23(17)30-21)15-6-4-5-7-18(15)26/h4-12H,27H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314123
(CHEMBL1092168 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)O Show InChI InChI=1S/C25H20Cl2N2O4/c1-13(30)28-21-18-12-17(14-8-10-15(26)11-9-14)20(16-6-4-5-7-19(16)27)29-24(18)33-22(21)23(31)25(2,3)32/h4-12,32H,1-3H3,(H,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314115
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H19Cl3N2O2/c1-24(2,3)22(30)21-19(28)17-11-16(12-4-6-13(25)7-5-12)20(29-23(17)31-21)15-9-8-14(26)10-18(15)27/h4-11H,28H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50259140
(2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophe...)Show SMILES CC(C)(C)c1nc2nc(-c3ccc(Cl)cc3Cl)c(cc2c(=O)[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H18Cl3N3O/c1-23(2,3)22-28-20-17(21(30)29-22)11-16(12-4-6-13(24)7-5-12)19(27-20)15-9-8-14(25)10-18(15)26/h4-11H,1-3H3,(H,27,28,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176435
(CHEMBL204232 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H18Cl3N3O3/c1-12(32)21-23(29-13(2)33)19-11-18(14-4-6-15(26)7-5-14)22(30-24(19)31(3)25(21)34)17-9-8-16(27)10-20(17)28/h4-11H,1-3H3,(H,29,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314111
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)Show SMILES CCC(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16Cl2N2O2/c1-2-18(27)21-19(25)16-11-15(12-7-9-13(23)10-8-12)20(26-22(16)28-21)14-5-3-4-6-17(14)24/h3-11H,2,25H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314110
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)Show SMILES CCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H15Cl3N2O2/c1-2-18(28)21-19(26)16-10-15(11-3-5-12(23)6-4-11)20(27-22(16)29-21)14-8-7-13(24)9-17(14)25/h3-10H,2,26H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314117
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H18Cl2N2O3/c1-23(2,29)21(28)20-18(26)16-11-15(12-7-9-13(24)10-8-12)19(27-22(16)30-20)14-5-3-4-6-17(14)25/h3-11,29H,26H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314109
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)Show SMILES CC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H13Cl3N2O2/c1-10(27)20-18(25)16-9-15(11-2-4-12(22)5-3-11)19(26-21(16)28-20)14-7-6-13(23)8-17(14)24/h2-9H,25H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314110
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)Show SMILES CCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H15Cl3N2O2/c1-2-18(28)21-19(26)16-10-15(11-3-5-12(23)6-4-11)20(27-22(16)29-21)14-8-7-13(24)9-17(14)25/h3-10H,2,26H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314114
((3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)...)Show SMILES Nc1c(oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H15Cl3N2O2/c27-16-8-6-14(7-9-16)19-13-20-22(30)25(24(32)15-4-2-1-3-5-15)33-26(20)31-23(19)18-11-10-17(28)12-21(18)29/h1-13H,30H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314115
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H19Cl3N2O2/c1-24(2,3)22(30)21-19(28)17-11-16(12-4-6-13(25)7-5-12)20(29-23(17)31-21)15-9-8-14(26)10-18(15)27/h4-11H,28H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314112
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)Show SMILES CC(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H17Cl3N2O2/c1-11(2)21(29)22-19(27)17-10-16(12-3-5-13(24)6-4-12)20(28-23(17)30-22)15-8-7-14(25)9-18(15)26/h3-11H,27H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314111
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)Show SMILES CCC(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16Cl2N2O2/c1-2-18(27)21-19(25)16-11-15(12-7-9-13(23)10-8-12)20(26-22(16)28-21)14-5-3-4-6-17(14)24/h3-11H,2,25H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314109
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)Show SMILES CC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H13Cl3N2O2/c1-10(27)20-18(25)16-9-15(11-2-4-12(22)5-3-11)19(26-21(16)28-20)14-7-6-13(23)8-17(14)24/h2-9H,25H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314113
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)Show SMILES CC(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H18Cl2N2O2/c1-12(2)21(28)22-19(26)17-11-16(13-7-9-14(24)10-8-13)20(27-23(17)29-22)15-5-3-4-6-18(15)25/h3-12H,26H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314116
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H20Cl2N2O2/c1-24(2,3)22(29)21-19(27)17-12-16(13-8-10-14(25)11-9-13)20(28-23(17)30-21)15-6-4-5-7-18(15)26/h4-12H,27H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314119
(3-(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-pivaloy...)Show SMILES CN(C)C(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C Show InChI InChI=1S/C27H25Cl2N3O3/c1-27(2,3)24(33)23-22(31-26(34)32(4)5)19-14-18(15-10-12-16(28)13-11-15)21(30-25(19)35-23)17-8-6-7-9-20(17)29/h6-14H,1-5H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314118
(CHEMBL1090402 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C Show InChI InChI=1S/C26H22Cl2N2O3/c1-14(31)29-22-19-13-18(15-9-11-16(27)12-10-15)21(17-7-5-6-8-20(17)28)30-25(19)33-23(22)24(32)26(2,3)4/h5-13H,1-4H3,(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314117
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H18Cl2N2O3/c1-23(2,29)21(28)20-18(26)16-11-15(12-7-9-13(24)10-8-12)19(27-22(16)30-20)14-5-3-4-6-17(14)25/h3-11,29H,26H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314120
(CHEMBL1090404 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CNCC(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C Show InChI InChI=1S/C27H25Cl2N3O3/c1-27(2,3)25(34)24-23(31-21(33)14-30-4)19-13-18(15-9-11-16(28)12-10-15)22(32-26(19)35-24)17-7-5-6-8-20(17)29/h5-13,30H,14H2,1-4H3,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314121
(CHEMBL1089032 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H22Cl2N2O4/c1-26(2,3)24(33)23-22(29-20(32)13-31)18-12-17(14-8-10-15(27)11-9-14)21(30-25(18)34-23)16-6-4-5-7-19(16)28/h4-12,31H,13H2,1-3H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314122
(CHEMBL1091832 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O4/c1-13(2)23(32)24-22(28-20(31)12-30)18-11-17(14-7-9-15(26)10-8-14)21(29-25(18)33-24)16-5-3-4-6-19(16)27/h3-11,13,30H,12H2,1-2H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314123
(CHEMBL1092168 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)O Show InChI InChI=1S/C25H20Cl2N2O4/c1-13(30)28-21-18-12-17(14-8-10-15(26)11-9-14)20(16-6-4-5-7-19(16)27)29-24(18)33-22(21)23(31)25(2,3)32/h4-12,32H,1-3H3,(H,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50314108
(CHEMBL1092169 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50314108
(CHEMBL1092169 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG potassium channel |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50314108
(CHEMBL1092169 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50314108
(CHEMBL1092169 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50314108
(CHEMBL1092169 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50314108
(CHEMBL1092169 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50314108
(CHEMBL1092169 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
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