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BDBM11450 4-({5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzene-1-sulfonamide::triazolo[1,5-a]pyrimidine 12

SMILES: NS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](O)CC3)nc3ncnn23)cc1

InChI Key: InChIKey=ZXJZXTATRONGHN-AULYBMBSNA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11450   
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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM11450
PNG
(4-({5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](O)CC3)nc3ncnn23)cc1
Show InChI InChI=1/C17H21N7O3S/c18-28(26,27)14-7-3-12(4-8-14)22-16-9-15(23-17-19-10-20-24(16)17)21-11-1-5-13(25)6-2-11/h3-4,7-11,13,22,25H,1-2,5-6H2,(H2,18,26,27)(H,19,20,21,23)/t11-,13-
PDB
MMDB

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK enzyme was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [...


Bioorg Med Chem Lett 16: 1353-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.048
BindingDB Entry DOI: 10.7270/Q2TT4P5C
More data for this
Ligand-Target Pair
3D
3D Structure (docked)