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BDBM24723 5,5,16-trimethyl-7,11,14,15-tetraazapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,17}]icosa-1(12),2,4(8),9,13,16-hexaen-6-one::pentacyclic compound, 36

SMILES: Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3NC(=O)C(C)(C)c3cc12

InChI Key: InChIKey=HRQZDSHGKWEGEH-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 = 24723   
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))
BDBM24723
PNG
(5,5,16-trimethyl-7,11,14,15-tetraazapentacyclo[10....)
Show SMILES Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3NC(=O)C(C)(C)c3cc12
Show InChI InChI=1S/C19H20N4O/c1-9-10-5-4-6-11-12-7-13-15(21-18(24)19(13,2)3)8-14(12)20-16(11)17(10)23-22-9/h7-8,20H,4-6H2,1-3H3,(H,21,24)(H,22,23)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 86n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 51: 4465-75 (2008)


Article DOI: 10.1021/jm800052b
BindingDB Entry DOI: 10.7270/Q2H70D4F
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM24723
PNG
(5,5,16-trimethyl-7,11,14,15-tetraazapentacyclo[10....)
Show SMILES Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3NC(=O)C(C)(C)c3cc12
Show InChI InChI=1S/C19H20N4O/c1-9-10-5-4-6-11-12-7-13-15(21-18(24)19(13,2)3)8-14(12)20-16(11)17(10)23-22-9/h7-8,20H,4-6H2,1-3H3,(H,21,24)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 72n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 51: 4465-75 (2008)


Article DOI: 10.1021/jm800052b
BindingDB Entry DOI: 10.7270/Q2H70D4F
More data for this
Ligand-Target Pair