BDBM50078071 CHEMBL3417516

SMILES: CC(C)C(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1

InChI Key: InChIKey=DESXNAWHZSSUQU-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 = 50078071   

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))	BDBM50078071 (CHEMBL3417516) Show SMILES CC(C)C(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C20H21N7O/c1-12(2)17(18-25-19(28-26-18)16-10-24-27(3)11-16)14-6-4-13(5-7-14)15-8-22-20(21)23-9-15/h4-12,17H,1-3H3,(H2,21,22,23)	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	6.20	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
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50078071 (CHEMBL3417516) Show SMILES CC(C)C(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C20H21N7O/c1-12(2)17(18-25-19(28-26-18)16-10-24-27(3)11-16)14-6-4-13(5-7-14)15-8-22-20(21)23-9-15/h4-12,17H,1-3H3,(H2,21,22,23)	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	190	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