BDBM167049 US9073876, 135::US9732093, Compound 135

SMILES: CC(C)c1nccc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1

InChI Key: InChIKey=JWFRFJWVMZRXPV-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 = 167049   

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))	BDBM167049 (US9073876, 135 | US9732093, Compound 135) Show SMILES CC(C)c1nccc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1 Show InChI InChI=1S/C21H22FN5O/c1-12(2)21-24-9-8-18(27-21)28-20-14(13-4-3-5-13)6-7-15(19(20)22)16-10-26-17(23)11-25-16/h6-13H,3-5H2,1-2H3,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	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))	BDBM167049 (US9073876, 135 | US9732093, Compound 135) Show SMILES CC(C)c1nccc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1 Show InChI InChI=1S/C21H22FN5O/c1-12(2)21-24-9-8-18(27-21)28-20-14(13-4-3-5-13)6-7-15(19(20)22)16-10-26-17(23)11-25-16/h6-13H,3-5H2,1-2H3,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	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))	BDBM167049 (US9073876, 135 | US9732093, Compound 135) Show SMILES CC(C)c1nccc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1 Show InChI InChI=1S/C21H22FN5O/c1-12(2)21-24-9-8-18(27-21)28-20-14(13-4-3-5-13)6-7-15(19(20)22)16-10-26-17(23)11-25-16/h6-13H,3-5H2,1-2H3,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	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