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BDBM203294 US10227340, Example 81::US9242975, 81

SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NC[C@H](O)c1ccccc1

InChI Key: InChIKey=QAFKZOIOMLAJQK-QHCPKHFHSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 203294   
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))
BDBM203294
PNG
(US10227340, Example 81 | US9242975, 81)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NC[C@H](O)c1ccccc1
Show InChI InChI=1S/C27H26N6O2S2/c1-16(2)31-21-11-25(32-18-8-9-20-24(10-18)37-15-30-20)28-12-19(21)27-33-22(14-36-27)26(35)29-13-23(34)17-6-4-3-5-7-17/h3-12,14-16,23,34H,13H2,1-2H3,(H,29,35)(H2,28,31,32)/t23-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/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))
BDBM203294
PNG
(US10227340, Example 81 | US9242975, 81)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NC[C@H](O)c1ccccc1
Show InChI InChI=1S/C27H26N6O2S2/c1-16(2)31-21-11-25(32-18-8-9-20-24(10-18)37-15-30-20)28-12-19(21)27-33-22(14-36-27)26(35)29-13-23(34)17-6-4-3-5-7-17/h3-12,14-16,23,34H,13H2,1-2H3,(H,29,35)(H2,28,31,32)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/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