BDBM167014 US9073876, 100::US9732093, Compound 100

SMILES: COc1nc(N)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1

InChI Key: InChIKey=WQCQXNXXWUCFCN-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 167014   

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))	BDBM167014 (US9073876, 100 | US9732093, Compound 100) Show SMILES COc1nc(N)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1 Show InChI InChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9073876 (2015) BindingDB Entry DOI: 10.7270/Q28S4NPC
					More data for this Ligand-Target Pair
Flap endonuclease 1 (Homo sapiens (Human))	BDBM167014 (US9073876, 100 | US9732093, Compound 100) Show SMILES COc1nc(N)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1 Show InChI InChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9732093 (2017) BindingDB Entry DOI: 10.7270/Q2NV9MCX
					More data for this Ligand-Target Pair
Flap endonuclease 1 (Homo sapiens (Human))	BDBM167014 (US9073876, 100 | US9732093, Compound 100) Show SMILES COc1nc(N)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1 Show InChI InChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9732093 (2017) BindingDB Entry DOI: 10.7270/Q2NV9MCX
					More data for this Ligand-Target Pair