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BDBM395295 N-{6-(2-Hydroxypropan-2-yl)-2-[3-(methylsulphonyl)propyl]-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide::US10308634, Example 10::US10793545, Example 10

SMILES: CC(C)(O)c1cc2nn(CCCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F

InChI Key: InChIKey=PHQVOBKAZNOWIV-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 395295   
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395295
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[3-(methylsulphonyl)...)
Show SMILES CC(C)(O)c1cc2nn(CCCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4S/c1-20(2,30)14-11-16-13(12-28(27-16)8-5-9-33(3,31)32)10-17(14)26-19(29)15-6-4-7-18(25-15)21(22,23)24/h4,6-7,10-12,30H,5,8-9H2,1-3H3,(H,26,29)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18.5n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10793545 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395295
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[3-(methylsulphonyl)...)
Show SMILES CC(C)(O)c1cc2nn(CCCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4S/c1-20(2,30)14-11-16-13(12-28(27-16)8-5-9-33(3,31)32)10-17(14)26-19(29)15-6-4-7-18(25-15)21(22,23)24/h4,6-7,10-12,30H,5,8-9H2,1-3H3,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18.5n/an/an/an/an/an/a



Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair