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BDBM203307 US10227340, Example 177::US9242975, 177

SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1ccc2cn[nH]c2c1

InChI Key: InChIKey=KZGYPFONPYMBIF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 203307   
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))
BDBM203307
PNG
(US10227340, Example 177 | US9242975, 177)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H20N6S/c1-13(2)26-20-9-22(27-16-5-6-18-21(8-16)29-12-24-18)23-11-17(20)14-3-4-15-10-25-28-19(15)7-14/h3-13H,1-2H3,(H,25,28)(H2,23,26,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 813n/an/an/an/an/an/a



Bristol-Myers Squibb Company

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))
BDBM203307
PNG
(US10227340, Example 177 | US9242975, 177)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H20N6S/c1-13(2)26-20-9-22(27-16-5-6-18-21(8-16)29-12-24-18)23-11-17(20)14-3-4-15-10-25-28-19(15)7-14/h3-13H,1-2H3,(H,25,28)(H2,23,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 813n/an/an/an/a7.225



Bristol-Myers Squibb Company

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