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BDBM50186417 4-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-ylamino)phenylsulfonamido)-4-oxobutanoic acid::CHEMBL209280

SMILES: Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCC(O)=O)nn1C(=O)c1c(F)cccc1F

InChI Key: InChIKey=KGHKTEALHPGTKH-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 = 50186417   
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


(Homo sapiens (Human))
BDBM50186417
PNG
(4-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-tri...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCC(O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H16F2N6O6S/c20-12-2-1-3-13(21)16(12)17(31)27-18(22)24-19(25-27)23-10-4-6-11(7-5-10)34(32,33)26-14(28)8-9-15(29)30/h1-7H,8-9H2,(H,26,28)(H,29,30)(H3,22,23,24,25)
PDB
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 71n/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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50186417
PNG
(4-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-tri...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCC(O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H16F2N6O6S/c20-12-2-1-3-13(21)16(12)17(31)27-18(22)24-19(25-27)23-10-4-6-11(7-5-10)34(32,33)26-14(28)8-9-15(29)30/h1-7H,8-9H2,(H,26,28)(H,29,30)(H3,22,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 494n/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