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BDBM203286 US10227340, Example 8::US9242975, 8

SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CCC(C1)NC(C)=O

InChI Key: InChIKey=OYYXHUJLHDYELY-UHFFFAOYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 203286   
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))
BDBM203286
PNG
(US10227340, Example 8 | US9242975, 8)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CCC(C1)NC(C)=O
Show InChI InChI=1/C24H26N8O2S2/c1-13(2)27-19-9-21(29-15-4-5-18-20(8-15)35-12-26-18)25-10-17(19)22-30-31-23(36-22)24(34)32-7-6-16(11-32)28-14(3)33/h4-5,8-10,12-13,16H,6-7,11H2,1-3H3,(H,28,33)(H2,25,27,29)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/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))
BDBM203286
PNG
(US10227340, Example 8 | US9242975, 8)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CCC(C1)NC(C)=O
Show InChI InChI=1/C24H26N8O2S2/c1-13(2)27-19-9-21(29-15-4-5-18-20(8-15)35-12-26-18)25-10-17(19)22-30-31-23(36-22)24(34)32-7-6-16(11-32)28-14(3)33/h4-5,8-10,12-13,16H,6-7,11H2,1-3H3,(H,28,33)(H2,25,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/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