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BDBM50253807 CHEMBL462686::N-(Azepan-1-yl)-1-(2,4-dichlorophenyl)-4-methyl-5-(5-(4-methylpent-1-ynyl)thiophen-2-yl)-1H-pyrazole-3-carboxamide

SMILES: CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1

InChI Key: InChIKey=NRXZZIOOVZYSTC-UHFFFAOYSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 50253807   
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))
BDBM50253807
PNG
(CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)
Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253807
PNG
(CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)
Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 14.6n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in HEK293 cells assessed as inhibition of Eu-GTP binding


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50253807
PNG
(CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)
Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)
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UniChem
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n/an/a 688n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253807
PNG
(CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)
Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair