BDBM50078052 CHEMBL3417415

SMILES: Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cccnc1

InChI Key: InChIKey=OZAIDXQEAWYELV-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 = 50078052   

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
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50078052 (CHEMBL3417415) Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cccnc1 Show InChI InChI=1S/C21H18N6O/c22-20-24-12-16(13-25-20)14-4-6-17(7-5-14)21(8-2-9-21)19-26-18(28-27-19)15-3-1-10-23-11-15/h1,3-7,10-13H,2,8-9H2,(H2,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...				J Med Chem 58: 1669-90 (2015) Article DOI: 10.1021/jm501185j BindingDB Entry DOI: 10.7270/Q2SB47GW
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50078052 (CHEMBL3417415) Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cccnc1 Show InChI InChI=1S/C21H18N6O/c22-20-24-12-16(13-25-20)14-4-6-17(7-5-14)21(8-2-9-21)19-26-18(28-27-19)15-3-1-10-23-11-15/h1,3-7,10-13H,2,8-9H2,(H2,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis				J Med Chem 58: 1669-90 (2015) Article DOI: 10.1021/jm501185j BindingDB Entry DOI: 10.7270/Q2SB47GW
					More data for this Ligand-Target Pair