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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50124009'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50124009
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES [H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(N)cc32)CCCO1 |TLB:2:3:8:19.13.12,THB:18:19:8:3.5.4|
Show InChI InChI=1S/C19H28N2O/c1-13-18-10-14-5-6-15(20)11-17(14)19(13,2)7-8-21(18)12-16-4-3-9-22-16/h5-6,11,13,16,18H,3-4,7-10,12,20H2,1-2H3/t13-,16-,18+,19-/m0/s1
PDB

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AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50124009
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES [H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(N)cc32)CCCO1 |TLB:2:3:8:19.13.12,THB:18:19:8:3.5.4|
Show InChI InChI=1S/C19H28N2O/c1-13-18-10-14-5-6-15(20)11-17(14)19(13,2)7-8-21(18)12-16-4-3-9-22-16/h5-6,11,13,16,18H,3-4,7-10,12,20H2,1-2H3/t13-,16-,18+,19-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 70n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair