BindingDB logo
myBDB logout

BDBM203301 US10227340, Example 130::US9242975, 130

SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)N1CCN(CCN2CCOCC2)CC1

InChI Key: InChIKey=KCZBWWYRIXUESA-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 = 203301   
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))
BDBM203301
PNG
(US10227340, Example 130 | US9242975, 130)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)N1CCN(CCN2CCOCC2)CC1
Show InChI InChI=1S/C27H35N9O2S/c1-19(2)30-23-16-25(31-20-3-4-22-24(15-20)39-18-29-22)28-17-21(23)26-32-33-27(38-26)36-9-7-34(8-10-36)5-6-35-11-13-37-14-12-35/h3-4,15-19H,5-14H2,1-2H3,(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 22.1n/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))
BDBM203301
PNG
(US10227340, Example 130 | US9242975, 130)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)N1CCN(CCN2CCOCC2)CC1
Show InChI InChI=1S/C27H35N9O2S/c1-19(2)30-23-16-25(31-20-3-4-22-24(15-20)39-18-29-22)28-17-21(23)26-32-33-27(38-26)36-9-7-34(8-10-36)5-6-35-11-13-37-14-12-35/h3-4,15-19H,5-14H2,1-2H3,(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 22.1n/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