Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50045067 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)) | BDBM50044128
(CHEMBL3341898)Show SMILES Cc1c(nn(c1-c1ccc(cc1)C#CCCC#N)-c1ccc(Cl)cc1Cl)C(=O)NN1CCS(=O)(=O)CC1 Show InChI InChI=1S/C26H23Cl2N5O3S/c1-18-24(26(34)31-32-13-15-37(35,36)16-14-32)30-33(23-11-10-21(27)17-22(23)28)25(18)20-8-6-19(7-9-20)5-3-2-4-12-29/h6-11,17H,2,4,13-16H2,1H3,(H,31,34) | 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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor |
Bioorg Med Chem Lett 23: 4751-60 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50044129
(CHEMBL3341897)Show SMILES CCc1c(nn(c1-c1ccc(s1)C#Cc1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C30H25Cl2F3N4OS/c1-2-23-27(29(40)37-38-16-4-3-5-17-38)36-39(25-14-11-21(31)18-24(25)32)28(23)26-15-13-22(41-26)12-8-19-6-9-20(10-7-19)30(33,34)35/h6-7,9-11,13-15,18H,2-5,16-17H2,1H3,(H,37,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor (unknown origin) |
Bioorg Med Chem Lett 23: 4751-60 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50044126
(CHEMBL3341900)Show SMILES CC1(C)C(Cc2ccc(F)cc2NC(=O)Nc2ccc(cc2)S(N)(=O)=O)C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C27H23F5N4O5S/c1-26(2)20(23(37)36(24(26)38)17-7-10-21(29)19(13-17)27(30,31)32)11-14-3-4-15(28)12-22(14)35-25(39)34-16-5-8-18(9-6-16)42(33,40)41/h3-10,12-13,20H,11H2,1-2H3,(H2,33,40,41)(H2,34,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 23: 4751-60 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50172899
(3,4-diarylpyrazoline derivative | CHEMBL195050)Show SMILES CCN(CC)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:10.10,c:15| Show InChI InChI=1S/C21H26ClN5O2S/c1-4-26(5-2)30(28,29)25-21(23-3)27-15-19(16-9-7-6-8-10-16)20(24-27)17-11-13-18(22)14-12-17/h6-14,19H,4-5,15H2,1-3H3,(H,23,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human CB1 receptor |
Bioorg Med Chem Lett 23: 4751-60 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50044129
(CHEMBL3341897)Show SMILES CCc1c(nn(c1-c1ccc(s1)C#Cc1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C30H25Cl2F3N4OS/c1-2-23-27(29(40)37-38-16-4-3-5-17-38)36-39(25-14-11-21(31)18-24(25)32)28(23)26-15-13-22(41-26)12-8-19-6-9-20(10-7-19)30(33,34)35/h6-7,9-11,13-15,18H,2-5,16-17H2,1H3,(H,37,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human CB1 receptor |
Bioorg Med Chem Lett 23: 4751-60 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50044126
(CHEMBL3341900)Show SMILES CC1(C)C(Cc2ccc(F)cc2NC(=O)Nc2ccc(cc2)S(N)(=O)=O)C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C27H23F5N4O5S/c1-26(2)20(23(37)36(24(26)38)17-7-10-21(29)19(13-17)27(30,31)32)11-14-3-4-15(28)12-22(14)35-25(39)34-16-5-8-18(9-6-16)42(33,40)41/h3-10,12-13,20H,11H2,1-2H3,(H2,33,40,41)(H2,34,35,39) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 23: 4751-60 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50044127
(CHEMBL3341899)Show SMILES Cc1c(\C=C\C(=O)NCc2cccc(Cl)c2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H19Cl4N3O/c1-16-23(10-12-25(34)31-15-17-3-2-4-20(28)13-17)32-33(24-11-9-21(29)14-22(24)30)26(16)18-5-7-19(27)8-6-18/h2-14H,15H2,1H3,(H,31,34)/b12-10+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 159 | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CB1 receptor |
Bioorg Med Chem Lett 23: 4751-60 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50147009
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...)Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human CB1 receptor |
Bioorg Med Chem Lett 23: 4751-60 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50147009
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...)Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description
Inverse agonist activity at rat CB1 receptor |
Bioorg Med Chem Lett 23: 4751-60 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ |
More data for this
Ligand-Target Pair | |
Search and Browse
