BDBM50261946 CHEMBL4080469

SMILES: Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(nc1)-c1cnc(N)nc1

InChI Key: InChIKey=CHCQOGZXIWPSNN-HXUWFJFHSA-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 = 50261946   

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))	BDBM50261946 (CHEMBL4080469) Show SMILES Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(nc1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C20H20N8O/c1-20(14-3-4-14,18-26-17(29-27-18)13-9-25-28(2)11-13)15-5-6-16(22-10-15)12-7-23-19(21)24-8-12/h5-11,14H,3-4H2,1-2H3,(H2,21,23,24)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	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
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50261946 (CHEMBL4080469) Show SMILES Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(nc1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C20H20N8O/c1-20(14-3-4-14,18-26-17(29-27-18)13-9-25-28(2)11-13)15-5-6-16(22-10-15)12-7-23-19(21)24-8-12/h5-11,14H,3-4H2,1-2H3,(H2,21,23,24)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	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