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BDBM50298924 CHEMBL572620::N-Cycloheptyl-1-(2,4-difluorophenyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide

SMILES: Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NC1CCCCCC1

InChI Key: InChIKey=JIFYSWSFVZJMJQ-UHFFFAOYSA-N

Data: 2 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50298924   
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 2


(Homo sapiens (Human))
BDBM50298924
PNG
(CHEMBL572620 | N-Cycloheptyl-1-(2,4-difluorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H24F2N4O/c1-15-20(21(29)25-17-8-4-2-3-5-9-17)26-28(22(15)27-12-6-7-13-27)19-11-10-16(23)14-18(19)24/h6-7,10-14,17H,2-5,8-9H2,1H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
200n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298924
PNG
(CHEMBL572620 | N-Cycloheptyl-1-(2,4-difluorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H24F2N4O/c1-15-20(21(29)25-17-8-4-2-3-5-9-17)26-28(22(15)27-12-6-7-13-27)19-11-10-16(23)14-18(19)24/h6-7,10-14,17H,2-5,8-9H2,1H3,(H,25,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
560n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair