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BDBM50377657 CHEMBL258163

SMILES: COC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=YXJOEDSXWADFTF-UHFFFAOYSA-N

Data: 2 KI  2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50377657   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377657
PNG
(CHEMBL258163)
Show SMILES COC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-21-16(18-19-20-21)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377657
PNG
(CHEMBL258163)
Show SMILES COC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-21-16(18-19-20-21)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50377657
PNG
(CHEMBL258163)
Show SMILES COC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-21-16(18-19-20-21)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in human HEK293 cells assessed as elevation in intracellular calcium flux


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50377657
PNG
(CHEMBL258163)
Show SMILES COC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-21-16(18-19-20-21)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
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UniChem
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 channel expressed in human HEK293 cells assessed as elevation in intracellular calcium flux


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50377657
PNG
(CHEMBL258163)
Show SMILES COC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-21-16(18-19-20-21)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
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PC sid
UniChem
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human DAGLalpha mediated sn-1-[14C]oleoyl-2-arachidonoyl-glycerol hydrolysis to 2-AG in COS cell


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50377657
PNG
(CHEMBL258163)
Show SMILES COC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-21-16(18-19-20-21)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH mediated [14C]anandamide hydrolysis


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair