BDBM50011789 CHEMBL3262931::US10287279, Compound 39

SMILES: CNc1nc(ccc1C#N)-c1cccc2ccccc12

InChI Key: InChIKey=SZVANFJEISJUEJ-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 = 50011789   

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
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50011789 (CHEMBL3262931 | US10287279, Compound 39) Show SMILES CNc1nc(ccc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C17H13N3/c1-19-17-13(11-18)9-10-16(20-17)15-8-4-6-12-5-2-3-7-14(12)15/h2-10H,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description The inhibitor compounds were screened initially using one concentration point on a Perkin-Elmer Lambda 40 UV-Vis spectrometer. The percent inhibition...				Bioorg Med Chem 16: 7424-8 (2008) BindingDB Entry DOI: 10.7270/Q2V98BD1
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50011789 (CHEMBL3262931 | US10287279, Compound 39) Show SMILES CNc1nc(ccc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C17H13N3/c1-19-17-13(11-18)9-10-16(20-17)15-8-4-6-12-5-2-3-7-14(12)15/h2-10H,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair