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SMILES: Nc1nc2[nH]c(Br)c(C#N)c2c(=O)[nH]1

InChI Key: InChIKey=ZIMIZZXLWCGECW-UHFFFAOYSA-N

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 = 50303509   

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
Pteridine reductase 1 (Leishmania major)	BDBM50303509 (2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d...) Show SMILES Nc1nc2[nH]c(Br)c(C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C7H4BrN5O/c8-4-2(1-9)3-5(11-4)12-7(10)13-6(3)14/h(H4,10,11,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair