BindingDB logo
myBDB logout

BDBM50087006 8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-(2-oxo-2-phenyl-ethyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL26483

SMILES: Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CN(CC(=O)c1ccccc1)C2=O)c1ccccc1

InChI Key: InChIKey=XDBSOVFDSPYHQJ-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 = 50087006   
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))
BDBM50087006
PNG
(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CN(CC(=O)c1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C31H32ClN3O2/c32-28-13-7-10-23-14-15-26(20-27(23)28)33-18-16-31(17-19-33)30(37)34(21-29(36)24-8-3-1-4-9-24)22-35(31)25-11-5-2-6-12-25/h1-13,26H,14-22H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
15n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087006
PNG
(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CN(CC(=O)c1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C31H32ClN3O2/c32-28-13-7-10-23-14-15-26(20-27(23)28)33-18-16-31(17-19-33)30(37)34(21-29(36)24-8-3-1-4-9-24)22-35(31)25-11-5-2-6-12-25/h1-13,26H,14-22H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
29n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087006
PNG
(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CN(CC(=O)c1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C31H32ClN3O2/c32-28-13-7-10-23-14-15-26(20-27(23)28)33-18-16-31(17-19-33)30(37)34(21-29(36)24-8-3-1-4-9-24)22-35(31)25-11-5-2-6-12-25/h1-13,26H,14-22H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
61n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50087006
PNG
(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CN(CC(=O)c1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C31H32ClN3O2/c32-28-13-7-10-23-14-15-26(20-27(23)28)33-18-16-31(17-19-33)30(37)34(21-29(36)24-8-3-1-4-9-24)22-35(31)25-11-5-2-6-12-25/h1-13,26H,14-22H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
510n/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