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SMILES: C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)-c1nnn[nH]1

InChI Key: InChIKey=JCEYFGFSKVUFMR-CZTZKLFOSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50138018   
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))
BDBM50138018
PNG
(3-(1'H-Tetrazol-5'-yl)-N-cyclobutylmethylmorphinan...)
Show SMILES C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)-c1nnn[nH]1
Show InChI InChI=1S/C22H29N5/c1-2-9-22-10-11-27(14-15-4-3-5-15)20(18(22)6-1)13-16-7-8-17(12-19(16)22)21-23-25-26-24-21/h7-8,12,15,18,20H,1-6,9-11,13-14H2,(H,23,24,25,26)/t18-,20+,22+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
850n/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)
BDBM50138018
PNG
(3-(1'H-Tetrazol-5'-yl)-N-cyclobutylmethylmorphinan...)
Show SMILES C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)-c1nnn[nH]1
Show InChI InChI=1S/C22H29N5/c1-2-9-22-10-11-27(14-15-4-3-5-15)20(18(22)6-1)13-16-7-8-17(12-19(16)22)21-23-25-26-24-21/h7-8,12,15,18,20H,1-6,9-11,13-14H2,(H,23,24,25,26)/t18-,20+,22+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+3n/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))
BDBM50138018
PNG
(3-(1'H-Tetrazol-5'-yl)-N-cyclobutylmethylmorphinan...)
Show SMILES C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)-c1nnn[nH]1
Show InChI InChI=1S/C22H29N5/c1-2-9-22-10-11-27(14-15-4-3-5-15)20(18(22)6-1)13-16-7-8-17(12-19(16)22)21-23-25-26-24-21/h7-8,12,15,18,20H,1-6,9-11,13-14H2,(H,23,24,25,26)/t18-,20+,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/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