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SMILES: C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nn(Cc2cccc(c2)C#N)cc1F

InChI Key: InChIKey=RQMZNTKYKTZBKH-ACJLOTCBSA-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 3 hits for monomerid = 356386   
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))
BDBM356386
PNG
(US10604535, Example 128 | US9815850, Compound 128 ...)
Show SMILES C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nn(Cc2cccc(c2)C#N)cc1F |r|
Show InChI InChI=1S/C22H19FN6O3/c1-13-18(22(31)28(2)20-17(32-13)7-4-8-25-20)26-21(30)19-16(23)12-29(27-19)11-15-6-3-5-14(9-15)10-24/h3-9,12-13,18H,11H2,1-2H3,(H,26,30)/t13-,18+/m1/s1
PDB

UniProtKB/SwissProt

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))
BDBM356386
PNG
(US10604535, Example 128 | US9815850, Compound 128 ...)
Show SMILES C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nn(Cc2cccc(c2)C#N)cc1F |r|
Show InChI InChI=1S/C22H19FN6O3/c1-13-18(22(31)28(2)20-17(32-13)7-4-8-25-20)26-21(30)19-16(23)12-29(27-19)11-15-6-3-5-14(9-15)10-24/h3-9,12-13,18H,11H2,1-2H3,(H,26,30)/t13-,18+/m1/s1
PDB

UniProtKB/SwissProt

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))
BDBM356386
PNG
(US10604535, Example 128 | US9815850, Compound 128 ...)
Show SMILES C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nn(Cc2cccc(c2)C#N)cc1F |r|
Show InChI InChI=1S/C22H19FN6O3/c1-13-18(22(31)28(2)20-17(32-13)7-4-8-25-20)26-21(30)19-16(23)12-29(27-19)11-15-6-3-5-14(9-15)10-24/h3-9,12-13,18H,11H2,1-2H3,(H,26,30)/t13-,18+/m1/s1
PDB

UniProtKB/SwissProt

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