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BDBM50532012 CHEMBL4461542

SMILES: Cc1cc(NC(=O)Cn2nnc(n2)-c2cccc(F)c2)n(n1)C1CCCCC1

InChI Key: InChIKey=WHUCZPDJCNYDDS-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 50532012   
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
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50532012
PNG
(CHEMBL4461542)
Show SMILES Cc1cc(NC(=O)Cn2nnc(n2)-c2cccc(F)c2)n(n1)C1CCCCC1
Show InChI InChI=1S/C19H22FN7O/c1-13-10-17(27(23-13)16-8-3-2-4-9-16)21-18(28)12-26-24-19(22-25-26)14-6-5-7-15(20)11-14/h5-7,10-11,16H,2-4,8-9,12H2,1H3,(H,21,28)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 264n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Activation of human GIRK1/4 expressed in HEK293 cells co-expressing rat mGlu8 by thallium flux assay


Bioorg Med Chem Lett 29: 791-796 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.027
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50532012
PNG
(CHEMBL4461542)
Show SMILES Cc1cc(NC(=O)Cn2nnc(n2)-c2cccc(F)c2)n(n1)C1CCCCC1
Show InChI InChI=1S/C19H22FN7O/c1-13-10-17(27(23-13)16-8-3-2-4-9-16)21-18(28)12-26-24-19(22-25-26)14-6-5-7-15(20)11-14/h5-7,10-11,16H,2-4,8-9,12H2,1H3,(H,21,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 81n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Activation of human GIRK1/2 expressed in HEK293 cells co-expressing rat mGlu8 by thallium flux assay


Bioorg Med Chem Lett 29: 791-796 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.027
More data for this
Ligand-Target Pair