BindingDB logo
myBDB logout

BDBM50303843 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(7-(N-(1-phenethylpiperidin-4-yl)propionamido)heptyl)-1H-pyrazole-3-carboxamide::CHEMBL570516

SMILES: CCC(=O)N(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1CCN(CCc2ccccc2)CC1

InChI Key: InChIKey=NWWDJZJTOILOGZ-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 = 50303843   
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))
BDBM50303843
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES CCC(=O)N(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C40H48Cl3N5O2/c1-3-37(49)47(34-21-26-46(27-22-34)25-20-30-12-8-7-9-13-30)24-11-6-4-5-10-23-44-40(50)38-29(2)39(31-14-16-32(41)17-15-31)48(45-38)36-19-18-33(42)28-35(36)43/h7-9,12-19,28,34H,3-6,10-11,20-27H2,1-2H3,(H,44,50)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
701n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
BindingDB Entry DOI: 10.7270/Q2WQ03WT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303843
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES CCC(=O)N(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C40H48Cl3N5O2/c1-3-37(49)47(34-21-26-46(27-22-34)25-20-30-12-8-7-9-13-30)24-11-6-4-5-10-23-44-40(50)38-29(2)39(31-14-16-32(41)17-15-31)48(45-38)36-19-18-33(42)28-35(36)43/h7-9,12-19,28,34H,3-6,10-11,20-27H2,1-2H3,(H,44,50)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.54E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
BindingDB Entry DOI: 10.7270/Q2WQ03WT
More data for this
Ligand-Target Pair