Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50034052 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)) | 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
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Displacement of [3H]BMS-725519 from human CB1 receptor expressed in CHO cells after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 6856-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.016 BindingDB Entry DOI: 10.7270/Q2WS8TN3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Displacement of [3H]BMS-725519 from rat brain CB1 receptor after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 6856-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.016 BindingDB Entry DOI: 10.7270/Q2WS8TN3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50356013
(CHEMBL1911374 | CHEMBL1911375)Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Displacement of [3H]BMS-725519 from rat brain CB1 receptor after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 6856-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.016 BindingDB Entry DOI: 10.7270/Q2WS8TN3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50356013
(CHEMBL1911374 | CHEMBL1911375)Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2 | 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 | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SR-141716 from human CB1 receptor |
Bioorg Med Chem Lett 21: 6856-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.016 BindingDB Entry DOI: 10.7270/Q2WS8TN3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50356013
(CHEMBL1911374 | CHEMBL1911375)Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 12.4 | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SR-141716 from rat CB1 receptor |
Bioorg Med Chem Lett 21: 6856-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.016 BindingDB Entry DOI: 10.7270/Q2WS8TN3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50356013
(CHEMBL1911374 | CHEMBL1911375)Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 29.1 | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Binding affinity to rat brain CB1 receptor after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 6856-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.016 BindingDB Entry DOI: 10.7270/Q2WS8TN3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50356013
(CHEMBL1911374 | CHEMBL1911375)Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2 | 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 | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 21: 6856-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.016 BindingDB Entry DOI: 10.7270/Q2WS8TN3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50356013
(CHEMBL1911374 | CHEMBL1911375)Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2 | 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 | n/a | 3.95 | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor expressed in CHO cells after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 6856-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.016 BindingDB Entry DOI: 10.7270/Q2WS8TN3 |
More data for this Ligand-Target Pair | |