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SMILES: Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)cc1

InChI Key: InChIKey=BIPPZTXGSWIXFV-UHFFFAOYSA-N

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 4 hits for monomerid = 182518   
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
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))
BDBM182518
PNG
(US9145392, 219)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C30H30F5N7/c31-22-5-2-19(3-6-22)26-27(36)37-18-38-29(26)41-12-8-20(9-13-41)28-39-25(17-42(28)15-14-40-10-1-11-40)21-4-7-24(32)23(16-21)30(33,34)35/h2-7,16-18,20H,1,8-15H2,(H2,36,37,38)
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US Patent
n/an/a 2.40n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM182518
PNG
(US9145392, 219)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C30H30F5N7/c31-22-5-2-19(3-6-22)26-27(36)37-18-38-29(26)41-12-8-20(9-13-41)28-39-25(17-42(28)15-14-40-10-1-11-40)21-4-7-24(32)23(16-21)30(33,34)35/h2-7,16-18,20H,1,8-15H2,(H2,36,37,38)
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128352
BindingDB Entry DOI: 10.7270/Q2SB49H5
More data for this
Ligand-Target Pair
RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM182518
PNG
(US9145392, 219)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C30H30F5N7/c31-22-5-2-19(3-6-22)26-27(36)37-18-38-29(26)41-12-8-20(9-13-41)28-39-25(17-42(28)15-14-40-10-1-11-40)21-4-7-24(32)23(16-21)30(33,34)35/h2-7,16-18,20H,1,8-15H2,(H2,36,37,38)
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Akt (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128352
BindingDB Entry DOI: 10.7270/Q2SB49H5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM182518
PNG
(US9145392, 219)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C30H30F5N7/c31-22-5-2-19(3-6-22)26-27(36)37-18-38-29(26)41-12-8-20(9-13-41)28-39-25(17-42(28)15-14-40-10-1-11-40)21-4-7-24(32)23(16-21)30(33,34)35/h2-7,16-18,20H,1,8-15H2,(H2,36,37,38)
PDB

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antibodypedia
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UniChem

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US Patent
n/an/a 2.30n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair