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BDBM356395 US10604535, Example 135::US9815850, Compound 135::US9896458, No. 135

SMILES: CN1c2ncccc2OC[C@H](NC(=O)c2nn(Cc3cccc(F)c3)cc2F)C1=O

InChI Key: InChIKey=DDZXXGGLKXBBOZ-HNNXBMFYSA-N

Data: 3 IC50

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 = 356395   
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
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM356395
PNG
(US10604535, Example 135 | US9815850, Compound 135 ...)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2nn(Cc3cccc(F)c3)cc2F)C1=O |r|
Show InChI InChI=1S/C20H17F2N5O3/c1-26-18-16(6-3-7-23-18)30-11-15(20(26)29)24-19(28)17-14(22)10-27(25-17)9-12-4-2-5-13(21)8-12/h2-8,10,15H,9,11H2,1H3,(H,24,28)/t15-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



University of Mississippi



Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...


J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM356395
PNG
(US10604535, Example 135 | US9815850, Compound 135 ...)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2nn(Cc3cccc(F)c3)cc2F)C1=O |r|
Show InChI InChI=1S/C20H17F2N5O3/c1-26-18-16(6-3-7-23-18)30-11-15(20(26)29)24-19(28)17-14(22)10-27(25-17)9-12-4-2-5-13(21)8-12/h2-8,10,15H,9,11H2,1H3,(H,24,28)/t15-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Denali Therapeutics Inc.

US Patent


Assay Description
Fluorescent polarization binding assay was performed in polystyrene low volume 384-well black plate, at Room Temperature (RT) in a final volume of 10...


US Patent US10604535 (2020)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM356395
PNG
(US10604535, Example 135 | US9815850, Compound 135 ...)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2nn(Cc3cccc(F)c3)cc2F)C1=O |r|
Show InChI InChI=1S/C20H17F2N5O3/c1-26-18-16(6-3-7-23-18)30-11-15(20(26)29)24-19(28)17-14(22)10-27(25-17)9-12-4-2-5-13(21)8-12/h2-8,10,15H,9,11H2,1H3,(H,24,28)/t15-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



Denali Therapeutics Inc.

US Patent


Assay Description
Assay was performed in polystyrene low volume 384-well black plate, at Room Temperature (RT) in a final volume of 10.1 μl/well using 10 nM of GS...


US Patent US9815850 (2017)


BindingDB Entry DOI: 10.7270/Q2W0987J
More data for this
Ligand-Target Pair