BDBM50084631 CHEMBL3427203

SMILES: COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1

InChI Key: InChIKey=OBAICMYWONZOSZ-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 4 hits for monomerid = 50084631   

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))	BDBM50084631 (CHEMBL3427203) Show SMILES COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	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 LPS-induced COX1 in human whole blood assessed as reduction in TXB2 levels by radioimmunoassay				Eur J Med Chem 94: 252-64 (2015) Article DOI: 10.1016/j.ejmech.2015.02.049 BindingDB Entry DOI: 10.7270/Q2416ZRX
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50084631 (CHEMBL3427203) Show SMILES COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50084631 (CHEMBL3427203) Show SMILES COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50084631 (CHEMBL3427203) Show SMILES COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+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 LPS-induced COX2 in human whole blood assessed as reduction in PGH2 levels by radioimmunoassay				Eur J Med Chem 94: 252-64 (2015) Article DOI: 10.1016/j.ejmech.2015.02.049 BindingDB Entry DOI: 10.7270/Q2416ZRX
					More data for this Ligand-Target Pair