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BDBM50330097 CHEMBL1234565::N-(4-(5-ethyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)phenyl)nicotinamide::N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide

SMILES: CCc1cc(nn1-c1ccc(NC(=O)c2cccnc2)cc1)-c1cccnc1

InChI Key: InChIKey=CCAFHMPMIJBDRP-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50330097   
Target
(Institution)
LigandTarget
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50330097
PNG
(CHEMBL1234565 | N-(4-(5-ethyl-3-(pyridin-3-yl)-1H-...)
Show SMILES CCc1cc(nn1-c1ccc(NC(=O)c2cccnc2)cc1)-c1cccnc1
Show InChI InChI=1S/C22H19N5O/c1-2-19-13-21(16-5-3-11-23-14-16)26-27(19)20-9-7-18(8-10-20)25-22(28)17-6-4-12-24-15-17/h3-15H,2H2,1H3,(H,25,28)
PDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
PDB
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Ephx2 after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6379-83 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)