BDBM50016438 CHEMBL3264698

SMILES: Brc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1

InChI Key: InChIKey=WVTUWXNHDHSOOZ-UHFFFAOYSA-N

Data: 2 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 = 50016438   

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
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50016438 (CHEMBL3264698) Show SMILES Brc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1 Show InChI InChI=1S/C16H11BrN4OS/c17-12-5-1-3-7-14(12)21-9-11(19-20-21)10-23-16-18-13-6-2-4-8-15(13)22-16/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of COX-1 (unknown origin)				Eur J Med Chem 81: 204-17 (2014) Article DOI: 10.1016/j.ejmech.2014.05.012 BindingDB Entry DOI: 10.7270/Q2GM88VQ
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50016438 (CHEMBL3264698) Show SMILES Brc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1 Show InChI InChI=1S/C16H11BrN4OS/c17-12-5-1-3-7-14(12)21-9-11(19-20-21)10-23-16-18-13-6-2-4-8-15(13)22-16/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin)				Eur J Med Chem 81: 204-17 (2014) Article DOI: 10.1016/j.ejmech.2014.05.012 BindingDB Entry DOI: 10.7270/Q2GM88VQ
					More data for this Ligand-Target Pair