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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 = 'BDBM50083669'   
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))
BDBM50083669
PNG
(7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)
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PC cid
PC sid
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PubMed
21n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)


BindingDB Entry DOI: 10.7270/Q2XP7440
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50083669
PNG
(7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 1.08E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)


BindingDB Entry DOI: 10.7270/Q2XP7440
More data for this
Ligand-Target Pair