BDBM50262010 CHEMBL4080876

SMILES: Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnn(CCC#N)c1

InChI Key: InChIKey=VHOJEJGUKKKSAE-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 = 50262010   

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))	BDBM50262010 (CHEMBL4080876) Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnn(CCC#N)c1 Show InChI InChI=1S/C22H20N8O/c23-9-2-10-30-14-17(13-27-30)19-28-20(29-31-19)22(7-1-8-22)18-5-3-15(4-6-18)16-11-25-21(24)26-12-16/h3-6,11-14H,1-2,7-8,10H2,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin ...				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50262010 (CHEMBL4080876) Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnn(CCC#N)c1 Show InChI InChI=1S/C22H20N8O/c23-9-2-10-30-14-17(13-27-30)19-28-20(29-31-19)22(7-1-8-22)18-5-3-15(4-6-18)16-11-25-21(24)26-12-16/h3-6,11-14H,1-2,7-8,10H2,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair