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PubMed code 25771484

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM12116
PNG
(3-(Indol-2-yl)indazole 6 | 3-[5-(morpholin-4-ylmet...)
Show SMILES N#Cc1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
Show InChI InChI=1S/C21H19N5O/c22-12-14-1-3-17-19(10-14)24-25-21(17)20-11-16-9-15(2-4-18(16)23-20)13-26-5-7-27-8-6-26/h1-4,9-11,23H,5-8,13H2,(H,24,25)
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UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of CDC7 (unknown origin)


Bioorg Med Chem 23: 1858-68 (2015)


Article DOI: 10.1016/j.bmc.2015.02.004
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM12116
PNG
(3-(Indol-2-yl)indazole 6 | 3-[5-(morpholin-4-ylmet...)
Show SMILES N#Cc1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
Show InChI InChI=1S/C21H19N5O/c22-12-14-1-3-17-19(10-14)24-25-21(17)20-11-16-9-15(2-4-18(16)23-20)13-26-5-7-27-8-6-26/h1-4,9-11,23H,5-8,13H2,(H,24,25)
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n/an/a 30n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem 23: 1858-68 (2015)


Article DOI: 10.1016/j.bmc.2015.02.004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase A


(Homo sapiens (Human))
BDBM50066146
PNG
(CHEMBL3403010)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C22H17N5O/c1-27(22(28)14-7-3-2-4-8-14)20-12-11-17-18(24-20)13-19(23-17)21-15-9-5-6-10-16(15)25-26-21/h2-13,23H,1H3,(H,25,26)
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n/an/a 32n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human full length Aurora A by HTRF assay


Bioorg Med Chem 23: 1858-68 (2015)


Article DOI: 10.1016/j.bmc.2015.02.004
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50066147
PNG
(CHEMBL3403013)
Show SMILES CN(C(=O)c1ccc(Cl)cc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C22H16ClN5O/c1-28(22(29)13-6-8-14(23)9-7-13)20-11-10-17-18(25-20)12-19(24-17)21-15-4-2-3-5-16(15)26-27-21/h2-12,24H,1H3,(H,26,27)
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n/an/a 46n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human full length Aurora A by HTRF assay


Bioorg Med Chem 23: 1858-68 (2015)


Article DOI: 10.1016/j.bmc.2015.02.004
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50066148
PNG
(CHEMBL3403031)
Show SMILES CN(C(=O)Nc1ccccc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C22H18N6O/c1-28(22(29)23-14-7-3-2-4-8-14)20-12-11-17-18(25-20)13-19(24-17)21-15-9-5-6-10-16(15)26-27-21/h2-13,24H,1H3,(H,23,29)(H,26,27)
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n/an/a 519n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human full length Aurora A by HTRF assay


Bioorg Med Chem 23: 1858-68 (2015)


Article DOI: 10.1016/j.bmc.2015.02.004
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%