Found 8 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50515386' 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)) | BDBM50515386
(CHEMBL4476642)Show SMILES CCCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2cccnc12 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-6-7-11-23-12-14(13-9-8-10-21-17(13)23)18(25)22-15(16(20)24)19(2,3)4/h8-10,12,15H,5-7,11H2,1-4H3,(H2,20,24)(H,22,25)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00242b
BindingDB Entry DOI: 10.7270/Q2G73JQJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50515386
(CHEMBL4476642)Show SMILES CCCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2cccnc12 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-6-7-11-23-12-14(13-9-8-10-21-17(13)23)18(25)22-15(16(20)24)19(2,3)4/h8-10,12,15H,5-7,11H2,1-4H3,(H2,20,24)(H,22,25)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00242b
BindingDB Entry DOI: 10.7270/Q2G73JQJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50515386
(CHEMBL4476642)Show SMILES CCCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2cccnc12 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-6-7-11-23-12-14(13-9-8-10-21-17(13)23)18(25)22-15(16(20)24)19(2,3)4/h8-10,12,15H,5-7,11H2,1-4H3,(H2,20,24)(H,22,25)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Agonist activity at human CB1 receptor expressed in AtT-20 cells measured every 2 secs for 2 mins by FLIPR assay |
Eur J Med Chem 180: 291-309 (2019)
Article DOI: 10.1016/j.ejmech.2019.07.036
BindingDB Entry DOI: 10.7270/Q2MP56N0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50515386
(CHEMBL4476642)Show SMILES CCCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2cccnc12 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-6-7-11-23-12-14(13-9-8-10-21-17(13)23)18(25)22-15(16(20)24)19(2,3)4/h8-10,12,15H,5-7,11H2,1-4H3,(H2,20,24)(H,22,25)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 147 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00242b
BindingDB Entry DOI: 10.7270/Q2G73JQJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50515386
(CHEMBL4476642)Show SMILES CCCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2cccnc12 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-6-7-11-23-12-14(13-9-8-10-21-17(13)23)18(25)22-15(16(20)24)19(2,3)4/h8-10,12,15H,5-7,11H2,1-4H3,(H2,20,24)(H,22,25)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00242b
BindingDB Entry DOI: 10.7270/Q2G73JQJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50515386
(CHEMBL4476642)Show SMILES CCCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2cccnc12 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-6-7-11-23-12-14(13-9-8-10-21-17(13)23)18(25)22-15(16(20)24)19(2,3)4/h8-10,12,15H,5-7,11H2,1-4H3,(H2,20,24)(H,22,25)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00242b
BindingDB Entry DOI: 10.7270/Q2G73JQJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50515386
(CHEMBL4476642)Show SMILES CCCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2cccnc12 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-6-7-11-23-12-14(13-9-8-10-21-17(13)23)18(25)22-15(16(20)24)19(2,3)4/h8-10,12,15H,5-7,11H2,1-4H3,(H2,20,24)(H,22,25)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 148 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00242b
BindingDB Entry DOI: 10.7270/Q2G73JQJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50515386
(CHEMBL4476642)Show SMILES CCCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2cccnc12 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-6-7-11-23-12-14(13-9-8-10-21-17(13)23)18(25)22-15(16(20)24)19(2,3)4/h8-10,12,15H,5-7,11H2,1-4H3,(H2,20,24)(H,22,25)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Agonist activity at human CB1 receptor expressed in AtT-20 cells measured every 2 secs for 2 mins by FLIPR assay |
Eur J Med Chem 180: 291-309 (2019)
Article DOI: 10.1016/j.ejmech.2019.07.036
BindingDB Entry DOI: 10.7270/Q2MP56N0 |
More data for this
Ligand-Target Pair | |
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