BDBM50035966 CHEMBL3338730

SMILES: CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1)C(C)=O

InChI Key: InChIKey=XRMMYYXAYFELFR-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 = 50035966   

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 (Ovis aries (Sheep))	BDBM50035966 (CHEMBL3338730) Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1)C(C)=O |t:4| Show InChI InChI=1S/C21H18BrN5O2S/c1-13(28)23-21-25-27(14(2)29)20(30-21)18-12-26(17-6-4-3-5-7-17)24-19(18)15-8-10-16(22)11-9-15/h3-12,20H,1-2H3,(H,23,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
KLE University Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem Lett 24: 5324-9 (2015) Article DOI: 10.1016/j.bmcl.2014.08.062 BindingDB Entry DOI: 10.7270/Q2X92CXH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50035966 (CHEMBL3338730) Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1)C(C)=O |t:4| Show InChI InChI=1S/C21H18BrN5O2S/c1-13(28)23-21-25-27(14(2)29)20(30-21)18-12-26(17-6-4-3-5-7-17)24-19(18)15-8-10-16(22)11-9-15/h3-12,20H,1-2H3,(H,23,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
KLE University Curated by ChEMBL					Assay Description Inhibition of ovine COX2				Bioorg Med Chem Lett 24: 5324-9 (2015) Article DOI: 10.1016/j.bmcl.2014.08.062 BindingDB Entry DOI: 10.7270/Q2X92CXH
					More data for this Ligand-Target Pair