BDBM50078046 CHEMBL3417420

SMILES: Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccncn1

InChI Key: InChIKey=JCYPBNCMKWVCRB-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 = 50078046   

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))	BDBM50078046 (CHEMBL3417420) Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccncn1 Show InChI InChI=1S/C20H17N7O/c21-19-23-10-14(11-24-19)13-2-4-15(5-3-13)20(7-1-8-20)18-26-17(28-27-18)16-6-9-22-12-25-16/h2-6,9-12H,1,7-8H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	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))	BDBM50078046 (CHEMBL3417420) Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccncn1 Show InChI InChI=1S/C20H17N7O/c21-19-23-10-14(11-24-19)13-2-4-15(5-3-13)20(7-1-8-20)18-26-17(28-27-18)16-6-9-22-12-25-16/h2-6,9-12H,1,7-8H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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