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BDBM167067 US9073876, 153::US9732093, Compound 153

SMILES: Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2ccc(cc2)C(O)=O)c1F

InChI Key: InChIKey=AJRYGTIOMYPDHV-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 = 167067   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167067
PNG
(US9073876, 153 | US9732093, Compound 153)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2ccc(cc2)C(O)=O)c1F
Show InChI InChI=1S/C21H18FN3O3/c22-19-16(17-10-25-18(23)11-24-17)9-8-15(12-2-1-3-12)20(19)28-14-6-4-13(5-7-14)21(26)27/h4-12H,1-3H2,(H2,23,25)(H,26,27)
PDB
MMDB

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PC cid
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US Patent
2.30n/an/an/an/an/an/an/an/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))
BDBM167067
PNG
(US9073876, 153 | US9732093, Compound 153)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2ccc(cc2)C(O)=O)c1F
Show InChI InChI=1S/C21H18FN3O3/c22-19-16(17-10-25-18(23)11-24-17)9-8-15(12-2-1-3-12)20(19)28-14-6-4-13(5-7-14)21(26)27/h4-12H,1-3H2,(H2,23,25)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.30n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167067
PNG
(US9073876, 153 | US9732093, Compound 153)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2ccc(cc2)C(O)=O)c1F
Show InChI InChI=1S/C21H18FN3O3/c22-19-16(17-10-25-18(23)11-24-17)9-8-15(12-2-1-3-12)20(19)28-14-6-4-13(5-7-14)21(26)27/h4-12H,1-3H2,(H2,23,25)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.30n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair