BDBM50167085 CHEMBL3799623

SMILES: Oc1cn(ccc1=O)-c1cc(ccn1)-c1cnn(Cc2ccccc2)c1

InChI Key: InChIKey=ZGZVBPHOEZGAFJ-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 = 50167085   

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
Catechol-O-methyltransferase (Rattus norvegicus (Rat))	BDBM50167085 (CHEMBL3799623) Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C20H16N4O2/c25-18-7-9-23(14-19(18)26)20-10-16(6-8-21-20)17-11-22-24(13-17)12-15-4-2-1-3-5-15/h1-11,13-14,26H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His10-tagged MB-COMT transfected in Escherichia coli BL21-CodonPlus(DE3)-RIPL using SAM/dopamine as substrat...				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)	BDBM50167085 (CHEMBL3799623) Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C20H16N4O2/c25-18-7-9-23(14-19(18)26)20-10-16(6-8-21-20)17-11-22-24(13-17)12-15-4-2-1-3-5-15/h1-11,13-14,26H,12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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