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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=UPRTXEGVQXBCFK-JXQGPUBUSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50121638   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50121638
PNG
(1-[3-(Adamantan-1-ylamino)-3,4-dihydro-1H-isoquino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2 |TLB:28:29:33:27.26.32,THB:28:27:33:29.34.30,30:29:26:31.33.32,30:31:26:29.34.28|
Show InChI InChI=1S/C30H39N3O2/c1-18-7-25(34)8-19(2)26(18)13-27(31)29(35)33-17-24-6-4-3-5-23(24)12-28(33)32-30-14-20-9-21(15-30)11-22(10-20)16-30/h3-8,20-22,27-28,32,34H,9-17,31H2,1-2H3/t20?,21?,22?,27-,28?,30?/m0/s1
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PC cid
PC sid
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Similars

PubMed
0.260n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound towards the Opioid receptor delta 1 in rat synaptosomal membrane was determined using [3H]-DPDPE as radioligand


J Med Chem 45: 5506-13 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44DF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50121638
PNG
(1-[3-(Adamantan-1-ylamino)-3,4-dihydro-1H-isoquino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2 |TLB:28:29:33:27.26.32,THB:28:27:33:29.34.30,30:29:26:31.33.32,30:31:26:29.34.28|
Show InChI InChI=1S/C30H39N3O2/c1-18-7-25(34)8-19(2)26(18)13-27(31)29(35)33-17-24-6-4-3-5-23(24)12-28(33)32-30-14-20-9-21(15-30)11-22(10-20)16-30/h3-8,20-22,27-28,32,34H,9-17,31H2,1-2H3/t20?,21?,22?,27-,28?,30?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.760n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound towards the Opioid receptor mu 1 in rat synaptosomal membrane was determined using [3H]-DAGO as radioligand


J Med Chem 45: 5506-13 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44DF
More data for this
Ligand-Target Pair