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1 similar compounds to monomer 116938

Compile data set for download or QSAR
Wt: 500.5
BDBM116884

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 116884   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM116884
PNG
(US8637532, 610)
Show SMILES CN(C)CCCOC1CC=C(C=C1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C28H32N6O3/c1-34(2)14-5-15-37-22-12-10-20(11-13-22)28(36)33-21-7-3-6-19(16-21)17-30-27-24-9-4-8-23(26(29)35)25(24)31-18-32-27/h3-4,6-12,16,18,22H,5,13-15,17H2,1-2H3,(H2,29,35)(H,33,36)(H,30,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 27n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116884
PNG
(US8637532, 610)
Show SMILES CN(C)CCCOC1CC=C(C=C1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C28H32N6O3/c1-34(2)14-5-15-37-22-12-10-20(11-13-22)28(36)33-21-7-3-6-19(16-21)17-30-27-24-9-4-8-23(26(29)35)25(24)31-18-32-27/h3-4,6-12,16,18,22H,5,13-15,17H2,1-2H3,(H2,29,35)(H,33,36)(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.60n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair