BindingDB logo
myBDB logout

BDBM50350969 CHEMBL1818230

SMILES: CC(C)CNCc1ccc(cc1)-c1cccnc1S(=O)(=O)N1CCCC1

InChI Key: InChIKey=LUPPEWDWAJWQLV-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 = 50350969   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350969
PNG
(CHEMBL1818230)
Show SMILES CC(C)CNCc1ccc(cc1)-c1cccnc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)14-21-15-17-7-9-18(10-8-17)19-6-5-11-22-20(19)26(24,25)23-12-3-4-13-23/h5-11,16,21H,3-4,12-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
BindingDB Entry DOI: 10.7270/Q2X63NBJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350969
PNG
(CHEMBL1818230)
Show SMILES CC(C)CNCc1ccc(cc1)-c1cccnc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)14-21-15-17-7-9-18(10-8-17)19-6-5-11-22-20(19)26(24,25)23-12-3-4-13-23/h5-11,16,21H,3-4,12-15H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
163n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
BindingDB Entry DOI: 10.7270/Q2X63NBJ
More data for this
Ligand-Target Pair