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BDBM86620 Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 26

SMILES: CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5Oc4n3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=HTOAYVQONNPMFN-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 86620   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase B


(Homo sapiens (Human))
BDBM86620
PNG
(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5Oc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H27F3N6O2/c1-3-34-10-12-35(13-11-34)16-17-8-9-18(14-20(17)26(27,28)29)31-25-30-15-21-23(32-25)37-22-7-5-4-6-19(22)24(36)33(21)2/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,30,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.04E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.


ACS Chem Biol 7: 185-96 (2012)


Article DOI: 10.1021/cb200305u
BindingDB Entry DOI: 10.7270/Q2PV6HZG
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM86620
PNG
(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5Oc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H27F3N6O2/c1-3-34-10-12-35(13-11-34)16-17-8-9-18(14-20(17)26(27,28)29)31-25-30-15-21-23(32-25)37-22-7-5-4-6-19(22)24(36)33(21)2/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 457n/an/an/an/an/an/a



Harvard Medical School



Assay Description
In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.


ACS Chem Biol 7: 185-96 (2012)


Article DOI: 10.1021/cb200305u
BindingDB Entry DOI: 10.7270/Q2PV6HZG
More data for this
Ligand-Target Pair