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BDBM50186422 2-amino-N-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-ylamino)phenylsulfonyl)acetamide::CHEMBL378248

SMILES: NCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1

InChI Key: InChIKey=ILMQREGUORVTSS-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 = 50186422   
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


(Homo sapiens (Human))
BDBM50186422
PNG
(2-amino-N-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1...)
Show SMILES NCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H15F2N7O4S/c18-11-2-1-3-12(19)14(11)15(28)26-16(21)23-17(24-26)22-9-4-6-10(7-5-9)31(29,30)25-13(27)8-20/h1-7H,8,20H2,(H,25,27)(H3,21,22,23,24)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 16: 3639-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.071
BindingDB Entry DOI: 10.7270/Q2CN73H6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50186422
PNG
(2-amino-N-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1...)
Show SMILES NCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H15F2N7O4S/c18-11-2-1-3-12(19)14(11)15(28)26-16(21)23-17(24-26)22-9-4-6-10(7-5-9)31(29,30)25-13(27)8-20/h1-7H,8,20H2,(H,25,27)(H3,21,22,23,24)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 16: 3639-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.071
BindingDB Entry DOI: 10.7270/Q2CN73H6
More data for this
Ligand-Target Pair