BindingDB logo
myBDB logout

BDBM50161574 4,5-Bis-(4-chloro-phenyl)-oxazole-2-carboxylic acid piperidin-1-ylamide::4,5-bis(4-chlorophenyl)-N-(piperidin-1-yl)oxazole-2-carboxamide::CHEMBL179119

SMILES: Clc1ccc(cc1)-c1nc(oc1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1

InChI Key: InChIKey=ZRPKPJAJWKOWLI-UHFFFAOYSA-N

Data: 2 IC50

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 = 50161574   
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))
BDBM50161574
PNG
(4,5-Bis-(4-chloro-phenyl)-oxazole-2-carboxylic aci...)
Show SMILES Clc1ccc(cc1)-c1nc(oc1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H19Cl2N3O2/c22-16-8-4-14(5-9-16)18-19(15-6-10-17(23)11-7-15)28-21(24-18)20(27)25-26-12-2-1-3-13-26/h4-11H,1-3,12-13H2,(H,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.24E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
BindingDB Entry DOI: 10.7270/Q2CN7543
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161574
PNG
(4,5-Bis-(4-chloro-phenyl)-oxazole-2-carboxylic aci...)
Show SMILES Clc1ccc(cc1)-c1nc(oc1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H19Cl2N3O2/c22-16-8-4-14(5-9-16)18-19(15-6-10-17(23)11-7-15)28-21(24-18)20(27)25-26-12-2-1-3-13-26/h4-11H,1-3,12-13H2,(H,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
BindingDB Entry DOI: 10.7270/Q2F18Z7R
More data for this
Ligand-Target Pair