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SMILES: CN1CCN(CC1)c1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1

InChI Key: InChIKey=ROFVRNNNZDBODT-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50401438   
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 A


(Homo sapiens (Human))
BDBM50401438
PNG
(CHEMBL2203775)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Show InChI InChI=1S/C26H31ClN8O/c1-18-14-20(31-36-18)17-33-8-12-35(13-9-33)24-22(27)16-28-26-23(24)29-25(30-26)19-4-3-5-21(15-19)34-10-6-32(2)7-11-34/h3-5,14-16H,6-13,17H2,1-2H3,(H,28,29,30)
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PC cid
PC sid
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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase


J Med Chem 55: 8721-34 (2012)


Article DOI: 10.1021/jm300952s
BindingDB Entry DOI: 10.7270/Q22J6D2W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [K633Q]


(Homo sapiens (Human))
BDBM50401438
PNG
(CHEMBL2203775)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Show InChI InChI=1S/C26H31ClN8O/c1-18-14-20(31-36-18)17-33-8-12-35(13-9-33)24-22(27)16-28-26-23(24)29-25(30-26)19-4-3-5-21(15-19)34-10-6-32(2)7-11-34/h3-5,14-16H,6-13,17H2,1-2H3,(H,28,29,30)
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Article
PubMed
n/an/an/a 5.40n/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to FLT3


J Med Chem 55: 8721-34 (2012)


Article DOI: 10.1021/jm300952s
BindingDB Entry DOI: 10.7270/Q22J6D2W
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50401438
PNG
(CHEMBL2203775)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Show InChI InChI=1S/C26H31ClN8O/c1-18-14-20(31-36-18)17-33-8-12-35(13-9-33)24-22(27)16-28-26-23(24)29-25(30-26)19-4-3-5-21(15-19)34-10-6-32(2)7-11-34/h3-5,14-16H,6-13,17H2,1-2H3,(H,28,29,30)
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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG by whole-cell voltage clamping


J Med Chem 55: 8721-34 (2012)


Article DOI: 10.1021/jm300952s
BindingDB Entry DOI: 10.7270/Q22J6D2W
More data for this
Ligand-Target Pair