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BDBM203302 US10227340, Example 143::US9242975, 143

SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)-c1ccc(F)c(c1)S(=O)(=O)NC(C)(C)C

InChI Key: InChIKey=HQVPIXYBXXGIGM-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 203302   
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))
BDBM203302
PNG
(US10227340, Example 143 | US9242975, 143)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)-c1ccc(F)c(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H28FN7O3S2/c1-15(2)31-21-12-24(32-17-7-9-20-22(11-17)39-14-30-20)29-13-18(21)26-34-33-25(38-26)16-6-8-19(28)23(10-16)40(36,37)35-27(3,4)5/h6-15,35H,1-5H3,(H2,29,31,32)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 676n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203302
PNG
(US10227340, Example 143 | US9242975, 143)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)-c1ccc(F)c(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H28FN7O3S2/c1-15(2)31-21-12-24(32-17-7-9-20-22(11-17)39-14-30-20)29-13-18(21)26-34-33-25(38-26)16-6-8-19(28)23(10-16)40(36,37)35-27(3,4)5/h6-15,35H,1-5H3,(H2,29,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 676n/an/an/an/a7.225



Bristol-Myers Squibb Co.

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substrates...


US Patent US9242975 (2016)


BindingDB Entry DOI: 10.7270/Q2MC8XVD
More data for this
Ligand-Target Pair