BDBM50491543 CHEMBL2380865

SMILES: Cc1onc(-c2ccc(Cl)o2)c1-c1ccccc1F

InChI Key: InChIKey=BGOVOFKQWOWYIN-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 = 50491543   

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
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50491543 (CHEMBL2380865) Show SMILES Cc1onc(-c2ccc(Cl)o2)c1-c1ccccc1F |(40.84,-8.42,;39.37,-7.94,;38.13,-8.85,;36.89,-7.94,;37.36,-6.48,;36.45,-5.24,;34.91,-5.24,;34.43,-3.78,;35.68,-2.87,;35.68,-1.33,;36.92,-3.78,;38.9,-6.48,;39.8,-5.23,;39.18,-3.83,;40.08,-2.58,;41.61,-2.74,;42.24,-4.15,;41.34,-5.4,;41.96,-6.8,)| Show InChI InChI=1S/C14H9ClFNO2/c1-8-13(9-4-2-3-5-10(9)16)14(17-19-8)11-6-7-12(15)18-11/h2-7H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Inhibition of COX-1 in human whole blood assessed as inhibition of serum TXB2 level after 1 hr by radioimmunoassay				J Med Chem 56: 4277-99 (2013) Article DOI: 10.1021/jm301905a BindingDB Entry DOI: 10.7270/Q21V5HVV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50491543 (CHEMBL2380865) Show SMILES Cc1onc(-c2ccc(Cl)o2)c1-c1ccccc1F |(40.84,-8.42,;39.37,-7.94,;38.13,-8.85,;36.89,-7.94,;37.36,-6.48,;36.45,-5.24,;34.91,-5.24,;34.43,-3.78,;35.68,-2.87,;35.68,-1.33,;36.92,-3.78,;38.9,-6.48,;39.8,-5.23,;39.18,-3.83,;40.08,-2.58,;41.61,-2.74,;42.24,-4.15,;41.34,-5.4,;41.96,-6.8,)| Show InChI InChI=1S/C14H9ClFNO2/c1-8-13(9-4-2-3-5-10(9)16)14(17-19-8)11-6-7-12(15)18-11/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Inhibition of COX-2 in human whole blood assessed as inhibition of LPS-induced plasma PGE2 level by radioimmunoassay				J Med Chem 56: 4277-99 (2013) Article DOI: 10.1021/jm301905a BindingDB Entry DOI: 10.7270/Q21V5HVV
					More data for this Ligand-Target Pair