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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50050487'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(CALF)
BDBM50050487
PNG
(10-Dimethylamino-9-methoxymethyl-1-methyl-tricyclo...)
Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 |THB:17:16:20:11.5.4,10:11:20:16.15.14|
Show InChI InChI=1S/C18H27NO2/c1-17-8-7-16(19(2)3)18(11-17,12-21-4)10-13-5-6-14(20)9-15(13)17/h5-6,9,16,20H,7-8,10-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25.2n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50050487
PNG
(10-Dimethylamino-9-methoxymethyl-1-methyl-tricyclo...)
Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 |THB:17:16:20:11.5.4,10:11:20:16.15.14|
Show InChI InChI=1S/C18H27NO2/c1-17-8-7-16(19(2)3)18(11-17,12-21-4)10-13-5-6-14(20)9-15(13)17/h5-6,9,16,20H,7-8,10-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25.2n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site


J Med Chem 39: 1956-66 (1996)


Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8
More data for this
Ligand-Target Pair