BindingDB logo
myBDB logout

null

SMILES: COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5C=C[C@H](O)[C@@H]6Oc2c3[C@]56CCN4C)cc1

InChI Key: InChIKey=CQNRBAWGNFQSTA-YXXKPLBDSA-N

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 = 50386692   
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))		BDBM50386692
PNG
(CHEMBL2048784)
Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5C=C[C@H](O)[C@@H]6Oc2c3[C@]56CCN4C)cc1 |r,c:15|
Show InChI InChI=1S/C25H28N2O3/c1-27-12-11-25-18-8-10-21(28)24(25)30-23-19(9-5-16(22(23)25)13-20(18)27)26-14-15-3-6-17(29-2)7-4-15/h3-10,18,20-21,24,26,28H,11-14H2,1-2H3/t18-,20+,21-,24-,25-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 60n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair