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SMILES: Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)N1CCC(O)CC1

InChI Key: InChIKey=UBBBCORMCZKJOS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 104663   

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 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104663 (US8575201, 154) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)N1CCC(O)CC1 Show InChI InChI=1S/C20H23N7O2/c21-18-23-10-13(11-24-18)16-3-2-14(12-22-16)20(6-1-7-20)17-25-19(29-26-17)27-8-4-15(28)5-9-27/h2-3,10-12,15,28H,1,4-9H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104663 (US8575201, 154) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)N1CCC(O)CC1 Show InChI InChI=1S/C20H23N7O2/c21-18-23-10-13(11-24-18)16-3-2-14(12-22-16)20(6-1-7-20)17-25-19(29-26-17)27-8-4-15(28)5-9-27/h2-3,10-12,15,28H,1,4-9H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	595	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
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104663 (US8575201, 154) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)N1CCC(O)CC1 Show InChI InChI=1S/C20H23N7O2/c21-18-23-10-13(11-24-18)16-3-2-14(12-22-16)20(6-1-7-20)17-25-19(29-26-17)27-8-4-15(28)5-9-27/h2-3,10-12,15,28H,1,4-9H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	173	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