BDBM50167079 CHEMBL3797723

SMILES: Oc1cn(ccc1=O)-c1cccc(n1)-c1ccccc1

InChI Key: InChIKey=CLXASNPRYTUWKJ-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 = 50167079   

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
Lanosterol synthase (Rattus norvegicus)	BDBM50167079 (CHEMBL3797723) Show SMILES Oc1cn(ccc1=O)-c1cccc(n1)-c1ccccc1 Show InChI InChI=1S/C16H12N2O2/c19-14-9-10-18(11-15(14)20)16-8-4-7-13(17-16)12-5-2-1-3-6-12/h1-11,20H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...				Bioorg Med Chem Lett 26: 2952-2956 (2016) Article DOI: 10.1016/j.bmcl.2016.03.095 BindingDB Entry DOI: 10.7270/Q2TM7D1B
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50167079 (CHEMBL3797723) Show SMILES Oc1cn(ccc1=O)-c1cccc(n1)-c1ccccc1 Show InChI InChI=1S/C16H12N2O2/c19-14-9-10-18(11-15(14)20)16-8-4-7-13(17-16)12-5-2-1-3-6-12/h1-11,20H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...				Bioorg Med Chem Lett 26: 2952-2956 (2016) Article DOI: 10.1016/j.bmcl.2016.03.095 BindingDB Entry DOI: 10.7270/Q2TM7D1B
					More data for this Ligand-Target Pair