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/Host (Institution)	Ligand	Target/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	pH	Temp °C
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50330097 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2010.09.095 BindingDB Entry DOI: 10.7270/Q2V69JT7
					More data for this Ligand-Target Pair				3D Structure (crystal)