BDBM50068109 CHEMBL3402235

SMILES: CNCc1cccc(c1)-c1cccnc1

InChI Key: InChIKey=LZJRRTLTBULOHU-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 2 PDB IDs match 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 2 hits for monomerid = 50068109   

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
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50068109 (CHEMBL3402235) Show SMILES CNCc1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...				J Med Chem 59: 1176-83 (2016) Article DOI: 10.1021/acs.jmedchem.5b01772 BindingDB Entry DOI: 10.7270/Q2SF2Z11
					More data for this Ligand-Target Pair
Epoxide hydratase (Homo sapiens (Human))	BDBM50068109 (CHEMBL3402235) Show SMILES CNCc1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged full-length human soluble epoxide hydrolase expressed in Escherichia coli BL21(DE3) cells pre-incubated for 15 m...				Bioorg Med Chem 23: 2310-7 (2015) Article DOI: 10.1016/j.bmc.2015.03.083 BindingDB Entry DOI: 10.7270/Q2DV1MKD
					More data for this Ligand-Target Pair				3D Structure (crystal)