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BDBM50298949 CHEMBL574052::N-Cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide

SMILES: Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1

InChI Key: InChIKey=RRUMZUULISYKFT-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50298949   
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))
BDBM50298949
PNG
(CHEMBL574052 | N-Cycloheptyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1 |(18.91,-23.05,;19.79,-21.79,;21.33,-21.77,;21.79,-20.29,;20.53,-19.41,;20.5,-17.87,;19.3,-20.33,;17.83,-19.88,;17.33,-18.43,;18.22,-17.16,;15.79,-18.45,;15.34,-19.92,;16.59,-20.8,;16.62,-22.34,;17.96,-23.1,;17.98,-24.63,;16.66,-25.42,;16.69,-26.96,;15.32,-24.67,;15.3,-23.13,;13.95,-22.38,;14.87,-17.22,;15.47,-15.8,;13.34,-17.4,;12.39,-16.16,;10.91,-16.47,;9.74,-15.47,;9.78,-13.94,;11.01,-13.02,;12.5,-13.39,;13.15,-14.81,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
56n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298949
PNG
(CHEMBL574052 | N-Cycloheptyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1 |(18.91,-23.05,;19.79,-21.79,;21.33,-21.77,;21.79,-20.29,;20.53,-19.41,;20.5,-17.87,;19.3,-20.33,;17.83,-19.88,;17.33,-18.43,;18.22,-17.16,;15.79,-18.45,;15.34,-19.92,;16.59,-20.8,;16.62,-22.34,;17.96,-23.1,;17.98,-24.63,;16.66,-25.42,;16.69,-26.96,;15.32,-24.67,;15.3,-23.13,;13.95,-22.38,;14.87,-17.22,;15.47,-15.8,;13.34,-17.4,;12.39,-16.16,;10.91,-16.47,;9.74,-15.47,;9.78,-13.94,;11.01,-13.02,;12.5,-13.39,;13.15,-14.81,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
80n/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