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BDBM335640 US9732093, Compound 149::tert-Butyl [2-({2-[3-(5-aminopyrazin-2- yl)-6-cyclobutyl-2- fluorophenoxy]pyrimidin-4- yl}amino)ethyl]carbamate

SMILES: CC(C)(C)OC(=O)NCCNc1cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)ncn1

InChI Key: InChIKey=JPMKRRHPRXNEOO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 335640   
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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM335640
PNG
(US9732093, Compound 149 | tert-Butyl [2-({2-[3-(5-...)
Show SMILES CC(C)(C)OC(=O)NCCNc1cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)ncn1
Show InChI InChI=1S/C25H30FN7O3/c1-25(2,3)36-24(34)29-10-9-28-20-11-21(33-14-32-20)35-23-16(15-5-4-6-15)7-8-17(22(23)26)18-12-31-19(27)13-30-18/h7-8,11-15H,4-6,9-10H2,1-3H3,(H2,27,31)(H,29,34)(H,28,32,33)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.30n/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 US9732093 (2017)


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


(Homo sapiens (Human))
BDBM335640
PNG
(US9732093, Compound 149 | tert-Butyl [2-({2-[3-(5-...)
Show SMILES CC(C)(C)OC(=O)NCCNc1cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)ncn1
Show InChI InChI=1S/C25H30FN7O3/c1-25(2,3)36-24(34)29-10-9-28-20-11-21(33-14-32-20)35-23-16(15-5-4-6-15)7-8-17(22(23)26)18-12-31-19(27)13-30-18/h7-8,11-15H,4-6,9-10H2,1-3H3,(H2,27,31)(H,29,34)(H,28,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.30n/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 US9732093 (2017)


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