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BDBM6869 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3e::4-[[5-Amino-1-(2-thienylcarbonyl)-1H-1,2,4-triazol-3-yl]amino]-benzenesulfonamide::4-{[5-amino-1-(thiophen-2-ylcarbonyl)-1H-1,2,4-triazol-3-yl]amino}benzene-1-sulfonamide

SMILES: Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1cccs1

InChI Key: InChIKey=DXKGSLMPGXZMRN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 6869   
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 1 (CDK1)


(Homo sapiens (Human))
BDBM6869
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3e ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1cccs1
Show InChI InChI=1S/C13H12N6O3S2/c14-12-17-13(18-19(12)11(20)10-2-1-7-23-10)16-8-3-5-9(6-4-8)24(15,21)22/h1-7H,(H2,15,21,22)(H3,14,16,17,18)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 4.5n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair