Found 71 hits Enz. Inhib. hit(s) with all data for entry = 50031833 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)) | BDBM50320187
((2R)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3'...)Show SMILES C[C@@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m1/s1 | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320184
(CHEMBL1086494 | rac-N-(7'-(2-chlorophenyl)-6'-(4-c...)Show SMILES OCC(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H26Cl2N2O3/c28-18-10-8-17(9-11-18)20-14-21-23(30-24(33)16-32)15-27(12-4-1-5-13-27)34-26(21)31-25(20)19-6-2-3-7-22(19)29/h2-3,6-11,14,23,32H,1,4-5,12-13,15-16H2,(H,30,33) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
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 Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320186
((2S)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3'...)Show SMILES C[C@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m0/s1 | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320185
(CHEMBL1085566 | N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOR...)Show SMILES CC(C)(O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H30Cl2N2O3/c1-28(2,35)27(34)32-24-17-29(14-6-3-7-15-29)36-26-22(24)16-21(18-10-12-19(30)13-11-18)25(33-26)20-8-4-5-9-23(20)31/h4-5,8-13,16,24,35H,3,6-7,14-15,17H2,1-2H3,(H,32,34) | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320183
(CHEMBL1086493 | rac-N-(7'-(2-chlorophenyl)-6'-(4-c...)Show SMILES CC(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H26Cl2N2O2/c1-17(32)30-24-16-27(13-5-2-6-14-27)33-26-22(24)15-21(18-9-11-19(28)12-10-18)25(31-26)20-7-3-4-8-23(20)29/h3-4,7-12,15,24H,2,5-6,13-14,16H2,1H3,(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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320176
(CHEMBL1083025 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)Show SMILES CC1(C)CC(NC(=O)CCO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H23Cl3N2O3/c1-25(2)13-21(29-22(32)9-10-31)19-12-18(14-3-5-15(26)6-4-14)23(30-24(19)33-25)17-8-7-16(27)11-20(17)28/h3-8,11-12,21,31H,9-10,13H2,1-2H3,(H,29,32) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320174
(CHEMBL1083014 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)Show SMILES CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H21Cl3N2O3/c1-24(2)11-20(28-21(31)12-30)18-10-17(13-3-5-14(25)6-4-13)22(29-23(18)32-24)16-8-7-15(26)9-19(16)27/h3-10,20,30H,11-12H2,1-2H3,(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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320198
(CHEMBL1084555 | rac-7-(2-chlorophenyl)-6-(4-chloro...)Show SMILES Fc1cccc(c1)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl Show InChI InChI=1S/C26H16Cl2FNO2/c27-17-10-8-15(9-11-17)20-13-21-23(31)14-24(16-4-3-5-18(29)12-16)32-26(21)30-25(20)19-6-1-2-7-22(19)28/h1-13,24H,14H2 | 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 Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320181
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-((R)-1...)Show SMILES C[C@@H](O)NC(=O)C1CC(C)(C)N(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H26Cl3N3O2/c1-14(33)30-25(34)21-13-26(2,3)32(4)24-20(21)12-19(15-5-7-16(27)8-6-15)23(31-24)18-10-9-17(28)11-22(18)29/h5-12,14,21,33H,13H2,1-4H3,(H,30,34)/t14-,21?/m1/s1 | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320197
(CHEMBL1086013 | rac-2-tert-butyl-7-(2-chlorophenyl...)Show SMILES CC(C)(C)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl Show InChI InChI=1S/C24H21Cl2NO2/c1-24(2,3)21-13-20(28)18-12-17(14-8-10-15(25)11-9-14)22(27-23(18)29-21)16-6-4-5-7-19(16)26/h4-12,21H,13H2,1-3H3 | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320175
(CHEMBL1083016 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)Show SMILES CC(C)(CO)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H27Cl3N2O3/c1-26(2,14-33)25(34)31-22-13-27(3,4)35-24-20(22)12-19(15-5-7-16(28)8-6-15)23(32-24)18-10-9-17(29)11-21(18)30/h5-12,22,33H,13-14H2,1-4H3,(H,31,34) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320177
((2R)-N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-...)Show SMILES C[C@@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m1/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320196
(CHEMBL1086012 | rac-7-(2-chlorophenyl)-6-(4-chloro...)Show SMILES CC(C)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl Show InChI InChI=1S/C23H19Cl2NO2/c1-13(2)21-12-20(27)18-11-17(14-7-9-15(24)10-8-14)22(26-23(18)28-21)16-5-3-4-6-19(16)25/h3-11,13,21H,12H2,1-2H3 | 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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320180
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(HYDRO...)Show SMILES CN1c2nc(-c3ccc(Cl)cc3Cl)c(cc2C(CC1(C)C)C(=O)NCO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24Cl3N3O2/c1-25(2)12-20(24(33)29-13-32)19-11-18(14-4-6-15(26)7-5-14)22(30-23(19)31(25)3)17-9-8-16(27)10-21(17)28/h4-11,20,32H,12-13H2,1-3H3,(H,29,33) | 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 | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320191
(CHEMBL1084038 | N-(5-(4-chlorophenyl)-6-(2,4-dichl...)Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(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 | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50316514
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1 | 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 | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50316514
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1 | 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 | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320201
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2',3',5',6'-...)Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCSCC3)Oc2nc1-c1ccccc1Cl Show InChI InChI=1S/C24H19Cl2NO2S/c25-16-7-5-15(6-8-16)18-13-19-21(28)14-24(9-11-30-12-10-24)29-23(19)27-22(18)17-3-1-2-4-20(17)26/h1-8,13H,9-12,14H2 | 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 | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
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 Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320200
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)spiro[cyclo...)Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCCCC3)Oc2nc1-c1ccccc1Cl Show InChI InChI=1S/C25H21Cl2NO2/c26-17-10-8-16(9-11-17)19-14-20-22(29)15-25(12-4-1-5-13-25)30-24(20)28-23(19)18-6-2-3-7-21(18)27/h2-3,6-11,14H,1,4-5,12-13,15H2 | 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 | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320179
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(1-HYD...)Show SMILES CC(C)(CO)NC(=O)C1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H27Cl3N2O3/c1-26(2,14-33)32-24(34)21-13-27(3,4)35-25-20(21)12-19(15-5-7-16(28)8-6-15)23(31-25)18-10-9-17(29)11-22(18)30/h5-12,21,33H,13-14H2,1-4H3,(H,32,34) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320202
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-3,4-dihydros...)Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCS(=O)(=O)CC3)Oc2nc1-c1ccccc1Cl Show InChI InChI=1S/C24H19Cl2NO4S/c25-16-7-5-15(6-8-16)18-13-19-21(28)14-24(9-11-32(29,30)12-10-24)31-23(19)27-22(18)17-3-1-2-4-20(17)26/h1-8,13H,9-12,14H2 | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320194
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-diethyl-...)Show SMILES CCC1(CC)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl Show InChI InChI=1S/C24H21Cl2NO2/c1-3-24(4-2)14-21(28)19-13-18(15-9-11-16(25)12-10-15)22(27-23(19)29-24)17-7-5-6-8-20(17)26/h5-13H,3-4,14H2,1-2H3 | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320190
(CHEMBL1085259 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)Show SMILES COC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H20Cl3NO2/c1-23(2)12-20(28-3)18-11-17(13-4-6-14(24)7-5-13)21(27-22(18)29-23)16-9-8-15(25)10-19(16)26/h4-11,20H,12H2,1-3H3 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320195
(CHEMBL1084471 | rac-7-(2-chlorophenyl)-6-(4-chloro...)Show SMILES CC1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl Show InChI InChI=1S/C21H15Cl2NO2/c1-12-10-19(25)17-11-16(13-6-8-14(22)9-7-13)20(24-21(17)26-12)15-4-2-3-5-18(15)23/h2-9,11-12H,10H2,1H3 | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320199
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)spiro[cyclo...)Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCCC3)Oc2nc1-c1ccccc1Cl Show InChI InChI=1S/C24H19Cl2NO2/c25-16-9-7-15(8-10-16)18-13-19-21(28)14-24(11-3-4-12-24)29-23(19)27-22(18)17-5-1-2-6-20(17)26/h1-2,5-10,13H,3-4,11-12,14H2 | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50320180
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(HYDRO...)Show SMILES CN1c2nc(-c3ccc(Cl)cc3Cl)c(cc2C(CC1(C)C)C(=O)NCO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24Cl3N3O2/c1-25(2)12-20(24(33)29-13-32)19-11-18(14-4-6-15(26)7-5-14)22(30-23(19)31(25)3)17-9-8-16(27)10-21(17)28/h4-11,20,32H,12-13H2,1-3H3,(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320173
(CHEMBL1085261 | N-(7-(2-CHLOROPHENYL)-6-(4-CHLOROP...)Show SMILES CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl Show InChI InChI=1S/C24H22Cl2N2O3/c1-24(2)12-20(27-21(30)13-29)18-11-17(14-7-9-15(25)10-8-14)22(28-23(18)31-24)16-5-3-4-6-19(16)26/h3-11,20,29H,12-13H2,1-2H3,(H,27,30) | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320192
(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dime...)Show SMILES CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H16Cl3NO2/c1-22(2)11-19(27)17-10-16(12-3-5-13(23)6-4-12)20(26-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10H,11H2,1-2H3 | 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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320189
(CHEMBL1083000 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)Show SMILES CC1(C)CC(C)(O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H20Cl3NO2/c1-22(2)12-23(3,28)18-11-17(13-4-6-14(24)7-5-13)20(27-21(18)29-22)16-9-8-15(25)10-19(16)26/h4-11,28H,12H2,1-3H3 | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320178
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIME...)Show SMILES CC1(C)CC(C(N)=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H19Cl3N2O2/c1-23(2)11-18(21(27)29)17-10-16(12-3-5-13(24)6-4-12)20(28-22(17)30-23)15-8-7-14(25)9-19(15)26/h3-10,18H,11H2,1-2H3,(H2,27,29) | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320172
(CHEMBL1085260 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)Show SMILES CC1(C)CC(N)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H19Cl3N2O/c1-22(2)11-19(26)17-10-16(12-3-5-13(23)6-4-12)20(27-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10,19H,11,26H2,1-2H3 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320193
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl...)Show SMILES CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl Show InChI InChI=1S/C22H17Cl2NO2/c1-22(2)12-19(26)17-11-16(13-7-9-14(23)10-8-13)20(25-21(17)27-22)15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3 | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50320177
((2R)-N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-...)Show SMILES C[C@@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m1/s1 | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320188
(CHEMBL1085732 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)Show SMILES CC1(C)CC(O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H18Cl3NO2/c1-22(2)11-19(27)17-10-16(12-3-5-13(23)6-4-12)20(26-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10,19,27H,11H2,1-2H3 | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50316514
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1 | 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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50320176
(CHEMBL1083025 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)Show SMILES CC1(C)CC(NC(=O)CCO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H23Cl3N2O3/c1-25(2)13-21(29-22(32)9-10-31)19-12-18(14-3-5-15(26)6-4-14)23(30-24(19)33-25)17-8-7-16(27)11-20(17)28/h3-8,11-12,21,31H,9-10,13H2,1-2H3,(H,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50320175
(CHEMBL1083016 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)Show SMILES CC(C)(CO)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H27Cl3N2O3/c1-26(2,14-33)25(34)31-22-13-27(3,4)35-24-20(22)12-19(15-5-7-16(28)8-6-15)23(32-24)18-10-9-17(29)11-21(18)30/h5-12,22,33H,13-14H2,1-4H3,(H,31,34) | 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 | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50320182
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-1-methylsp...)Show SMILES CN1CCC2(CC1)CC(=O)c1cc(-c3ccc(Cl)cc3)c(nc1O2)-c1ccccc1Cl Show InChI InChI=1S/C25H22Cl2N2O2/c1-29-12-10-25(11-13-29)15-22(30)20-14-19(16-6-8-17(26)9-7-16)23(28-24(20)31-25)18-4-2-3-5-21(18)27/h2-9,14H,10-13,15H2,1H3 | 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 | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50320180
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(HYDRO...)Show SMILES CN1c2nc(-c3ccc(Cl)cc3Cl)c(cc2C(CC1(C)C)C(=O)NCO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24Cl3N3O2/c1-25(2)12-20(24(33)29-13-32)19-11-18(14-4-6-15(26)7-5-14)22(30-23(19)31(25)3)17-9-8-16(27)10-21(17)28/h4-11,20,32H,12-13H2,1-3H3,(H,29,33) | 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 | 801 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50320181
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-((R)-1...)Show SMILES C[C@@H](O)NC(=O)C1CC(C)(C)N(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H26Cl3N3O2/c1-14(33)30-25(34)21-13-26(2,3)32(4)24-20(21)12-19(15-5-7-16(27)8-6-15)23(31-24)18-10-9-17(28)11-22(18)29/h5-12,14,21,33H,13H2,1-4H3,(H,30,34)/t14-,21?/m1/s1 | 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 | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50320192
(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dime...)Show SMILES CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H16Cl3NO2/c1-22(2)11-19(27)17-10-16(12-3-5-13(23)6-4-12)20(26-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10H,11H2,1-2H3 | 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 Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50320186
((2S)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3'...)Show SMILES C[C@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m0/s1 | 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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50320173
(CHEMBL1085261 | N-(7-(2-CHLOROPHENYL)-6-(4-CHLOROP...)Show SMILES CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl Show InChI InChI=1S/C24H22Cl2N2O3/c1-24(2)12-20(27-21(30)13-29)18-11-17(14-7-9-15(25)10-8-14)22(28-23(18)31-24)16-5-3-4-6-19(16)26/h3-11,20,29H,12-13H2,1-2H3,(H,27,30) | 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 | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50320198
(CHEMBL1084555 | rac-7-(2-chlorophenyl)-6-(4-chloro...)Show SMILES Fc1cccc(c1)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl Show InChI InChI=1S/C26H16Cl2FNO2/c27-17-10-8-15(9-11-17)20-13-21-23(31)14-24(16-4-3-5-18(29)12-16)32-26(21)30-25(20)19-6-1-2-7-22(19)28/h1-13,24H,14H2 | 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 Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50320182
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-1-methylsp...)Show SMILES CN1CCC2(CC1)CC(=O)c1cc(-c3ccc(Cl)cc3)c(nc1O2)-c1ccccc1Cl Show InChI InChI=1S/C25H22Cl2N2O2/c1-29-12-10-25(11-13-29)15-22(30)20-14-19(16-6-8-17(26)9-7-16)23(28-24(20)31-25)18-4-2-3-5-21(18)27/h2-9,14H,10-13,15H2,1H3 | 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 | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50316514
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1 | 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 | 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50316514
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1 | 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 | 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50320193
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl...)Show SMILES CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl Show InChI InChI=1S/C22H17Cl2NO2/c1-22(2)12-19(26)17-11-16(13-7-9-14(23)10-8-13)20(25-21(17)27-22)15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3 | 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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 3750-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR |
More data for this Ligand-Target Pair | |