BDBM50448175 CHEMBL3120552

SMILES: S=C(Nc1ccccc1)Nc1cccnc1

InChI Key: InChIKey=WEBCASPSGDNATE-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50448175   

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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448175 (CHEMBL3120552) Show SMILES S=C(Nc1ccccc1)Nc1cccnc1 Show InChI InChI=1S/C12H11N3S/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448175 (CHEMBL3120552) Show SMILES S=C(Nc1ccccc1)Nc1cccnc1 Show InChI InChI=1S/C12H11N3S/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by indophenol method				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair