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BDBM50453089 CHEMBL2114225

SMILES: FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1

InChI Key: InChIKey=YOLQXHYBPFPWEI-OAQYLSRUSA-N

Data: 6 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 6 hits for monomerid = 50453089   
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))
BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.240n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL




J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
11n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/m1/s1
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149n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL




J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL




J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured on opioid receptor delta sites.


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair