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BDBM95574 2-[(4-keto-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-2-yl)thio]-N-(4-methoxyphenyl)acetamide::2-[(5,7-dimethyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)ethanamide::2-[(5,7-dimethyl-4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide::2-[(5,7-dimethyl-4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)thio]-N-(4-methoxyphenyl)acetamide::MLS001116388::SMR000625593::cid_23605411

SMILES: COc1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1

InChI Key: InChIKey=VZBHHDDRTQRPAA-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95574   
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
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95574
PNG
(2-[(4-keto-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C18H18N4O3S/c1-10-8-11(2)19-16-15(10)17(24)22-18(21-16)26-9-14(23)20-12-4-6-13(25-3)7-5-12/h4-8H,9H2,1-3H3,(H,20,23)(H,19,21,22,24)
PDB
MMDB

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PC sid
UniChem

Similars

n/an/a 1.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair