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BDBM50087007 8-(7-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL447779

SMILES: Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1

InChI Key: InChIKey=XYFWBDPFFPDLGC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50087007   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087007
PNG
(8-(7-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-19-8-6-17-7-9-21(15-18(17)14-19)26-12-10-23(11-13-26)22(28)25-16-27(23)20-4-2-1-3-5-20/h1-6,8,14,21H,7,9-13,15-16H2,(H,25,28)
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PubMed
5.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assay


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087007
PNG
(8-(7-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-19-8-6-17-7-9-21(15-18(17)14-19)26-12-10-23(11-13-26)22(28)25-16-27(23)20-4-2-1-3-5-20/h1-6,8,14,21H,7,9-13,15-16H2,(H,25,28)
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11n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087007
PNG
(8-(7-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-19-8-6-17-7-9-21(15-18(17)14-19)26-12-10-23(11-13-26)22(28)25-16-27(23)20-4-2-1-3-5-20/h1-6,8,14,21H,7,9-13,15-16H2,(H,25,28)
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16n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50087007
PNG
(8-(7-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-19-8-6-17-7-9-21(15-18(17)14-19)26-12-10-23(11-13-26)22(28)25-16-27(23)20-4-2-1-3-5-20/h1-6,8,14,21H,7,9-13,15-16H2,(H,25,28)
PDB

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PubMed
480n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor delta 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair