BindingDB logo
myBDB logout

BDBM50042060 CHEMBL4094890

SMILES: CC1CCC(CC1)C(=O)NCC1NCCc2ccccc12

InChI Key: InChIKey=NTHPAPBPFQJABD-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 50042060   
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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50042060
PNG
(CHEMBL4094890)
Show SMILES CC1CCC(CC1)C(=O)NCC1NCCc2ccccc12 |(18.23,-18.02,;19.58,-17.27,;19.61,-15.73,;20.95,-14.99,;22.27,-15.78,;22.24,-17.32,;20.9,-18.07,;23.62,-15.04,;24.94,-15.84,;23.65,-13.5,;22.33,-12.7,;22.36,-11.17,;23.72,-10.42,;23.75,-8.88,;22.43,-8.09,;21.08,-8.83,;19.76,-8.04,;18.41,-8.78,;18.38,-10.32,;19.7,-11.12,;21.05,-10.37,)|
Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/an/an/a 1.53E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO-K1 cells co-expressing Galpha 15 assessed as increase in intracellular calcium release incubated for 1...

Eur J Med Chem 126: 202-217 (2017)


BindingDB Entry DOI: 10.7270/Q2RB76TS
More data for this
Ligand-Target Pair