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BDBM203295 US10227340, Example 82::US9242975, 82

SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCCCN1CCCC1

InChI Key: InChIKey=JAYAYDUIAQVVMW-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 = 203295   
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))
BDBM203295
PNG
(US10227340, Example 82 | US9242975, 82)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C26H31N7OS2/c1-17(2)30-21-13-24(31-18-6-7-20-23(12-18)36-16-29-20)28-14-19(21)26-32-22(15-35-26)25(34)27-8-5-11-33-9-3-4-10-33/h6-7,12-17H,3-5,8-11H2,1-2H3,(H,27,34)(H2,28,30,31)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/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))
BDBM203295
PNG
(US10227340, Example 82 | US9242975, 82)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C26H31N7OS2/c1-17(2)30-21-13-24(31-18-6-7-20-23(12-18)36-16-29-20)28-14-19(21)26-32-22(15-35-26)25(34)27-8-5-11-33-9-3-4-10-33/h6-7,12-17H,3-5,8-11H2,1-2H3,(H,27,34)(H2,28,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/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