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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50049807'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50049807
PNG
(2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
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0.360n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50049807
PNG
(2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
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0.360n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049807
PNG
(2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049807
PNG
(2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair