BindingDB logo
myBDB logout

PubMed code 27190594

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50175274
PNG
(CHEMBL3809864 | US10189809, Compound I-97)
Show SMILES Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)10-24-15(13-6-8-25-23-13)9-14(22-24)17-20-7-5-16(19)21-17/h1-9H,10H2,(H2,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Ironwood Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to KOP receptor (unknown origin) at 10 uM


ACS Med Chem Lett 7: 465-9 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50175274
PNG
(CHEMBL3809864 | US10189809, Compound I-97)
Show SMILES Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)10-24-15(13-6-8-25-23-13)9-14(22-24)17-20-7-5-16(19)21-17/h1-9H,10H2,(H2,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 1.50E+3n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at KOP receptor (unknown origin)


ACS Med Chem Lett 7: 465-9 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%