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BDBM50138008 3-Amino-10-keto-N-cyclobutylmethylmorphinan::CHEMBL300877

SMILES: Nc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1

InChI Key: InChIKey=RWOONUDEZVLRNB-HFSMHLIXSA-N

Data: 3 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 3 hits for monomerid = 50138008   
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


(Cavia porcellus (domestic guinea pig))
BDBM50138008
PNG
(3-Amino-10-keto-N-cyclobutylmethylmorphinan | CHEM...)
Show SMILES Nc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H28N2O/c22-15-7-8-16-18(12-15)21-9-2-1-6-17(21)19(20(16)24)23(11-10-21)13-14-4-3-5-14/h7-8,12,14,17,19H,1-6,9-11,13,22H2/t17-,19-,21+/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radioligand in guinea pig brain membranes.


J Med Chem 47: 165-74 (2003)


Article DOI: 10.1021/jm0304156
BindingDB Entry DOI: 10.7270/Q2KD1XB2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50138008
PNG
(3-Amino-10-keto-N-cyclobutylmethylmorphinan | CHEM...)
Show SMILES Nc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H28N2O/c22-15-7-8-16-18(12-15)21-9-2-1-6-17(21)19(20(16)24)23(11-10-21)13-14-4-3-5-14/h7-8,12,14,17,19H,1-6,9-11,13,22H2/t17-,19-,21+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
23n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain membranes.


J Med Chem 47: 165-74 (2003)


Article DOI: 10.1021/jm0304156
BindingDB Entry DOI: 10.7270/Q2KD1XB2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50138008
PNG
(3-Amino-10-keto-N-cyclobutylmethylmorphinan | CHEM...)
Show SMILES Nc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H28N2O/c22-15-7-8-16-18(12-15)21-9-2-1-6-17(21)19(20(16)24)23(11-10-21)13-14-4-3-5-14/h7-8,12,14,17,19H,1-6,9-11,13,22H2/t17-,19-,21+/m0/s1
PDB

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PC sid
UniChem

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Article
PubMed
600n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta 1 using [3H]-naltrindole as radioligand in guinea pig brain membranes.


J Med Chem 47: 165-74 (2003)


Article DOI: 10.1021/jm0304156
BindingDB Entry DOI: 10.7270/Q2KD1XB2
More data for this
Ligand-Target Pair