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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50088365'   
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


(Rattus norvegicus (rat))
BDBM50088365
PNG
(1-[10-(3-Naphthalen-1-yl-allyl)-9,10-diaza-tricycl...)
Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc2ccccc12 |TLB:2:4:13:10.11,10:9:4:7.6,11:12:4:7.6,THB:14:13:4.5.8:10.11,14:13:4:7.6,7:8:13:10.11,6:5:13:10.11|
Show InChI InChI=1S/C24H28N2O/c1-2-24(27)26-22-14-15-23(26)21-13-12-20(22)25(21)16-6-10-18-9-5-8-17-7-3-4-11-19(17)18/h3-11,20-23H,2,12-16H2,1H3/b10-6+/t20-,21?,22-,23?/m0/s1
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PubMed
4.66n/an/an/an/an/an/an/an/a



Istituto di Chimica Farmaceutica e Tossicologica

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 was determined in rat brain homogenate using 3- arylpropenyl-8-propionyl-DBO derivative (3)


J Med Chem 43: 2115-23 (2000)


BindingDB Entry DOI: 10.7270/Q22N51HT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50088365
PNG
(1-[10-(3-Naphthalen-1-yl-allyl)-9,10-diaza-tricycl...)
Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc2ccccc12 |TLB:2:4:13:10.11,10:9:4:7.6,11:12:4:7.6,THB:14:13:4.5.8:10.11,14:13:4:7.6,7:8:13:10.11,6:5:13:10.11|
Show InChI InChI=1S/C24H28N2O/c1-2-24(27)26-22-14-15-23(26)21-13-12-20(22)25(21)16-6-10-18-9-5-8-17-7-3-4-11-19(17)18/h3-11,20-23H,2,12-16H2,1H3/b10-6+/t20-,21?,22-,23?/m0/s1
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21.7n/an/an/an/an/an/an/an/a



Istituto di Chimica Farmaceutica e Tossicologica

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 was determined in rat brain homogenate using 3- arylpropenyl-8-propionyl-DBO derivative (2)


J Med Chem 43: 2115-23 (2000)


BindingDB Entry DOI: 10.7270/Q22N51HT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50088365
PNG
(1-[10-(3-Naphthalen-1-yl-allyl)-9,10-diaza-tricycl...)
Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc2ccccc12 |TLB:2:4:13:10.11,10:9:4:7.6,11:12:4:7.6,THB:14:13:4.5.8:10.11,14:13:4:7.6,7:8:13:10.11,6:5:13:10.11|
Show InChI InChI=1S/C24H28N2O/c1-2-24(27)26-22-14-15-23(26)21-13-12-20(22)25(21)16-6-10-18-9-5-8-17-7-3-4-11-19(17)18/h3-11,20-23H,2,12-16H2,1H3/b10-6+/t20-,21?,22-,23?/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
180n/an/an/an/an/an/an/an/a



Istituto di Chimica Farmaceutica e Tossicologica

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to rat brain homogenat Opioid receptor mu 1


J Med Chem 43: 2115-23 (2000)


BindingDB Entry DOI: 10.7270/Q22N51HT
More data for this
Ligand-Target Pair