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BDBM100087 (4S)-6-amino-5-cyano-2-(2-keto-2-methoxy-ethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylic acid methyl ester::(4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylic acid methyl ester::(S)-6-Amino-5-cyano-2-methoxycarbonylmethyl-4-(2-nitro-phenyl)-4H-pyran-3-carboxylic acid methyl ester::MLS000779953::SMR000420118::cid_7211646::methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate::methyl (4S)-6-azanyl-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate

SMILES: COC(=O)CC1=C(C([C-](C#N)C(=[NH2+])O1)c1ccccc1[N+]([O-])=O)C(=O)OC

InChI Key: InChIKey=HUQUMLONTWNECO-UHFFFAOYSA-O

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100087   
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
Kallikrein 7


(Homo sapiens (Human))
BDBM100087
PNG
((4S)-6-amino-5-cyano-2-(2-keto-2-methoxy-ethyl)-4-...)
Show SMILES COC(=O)CC1=C(C([C-](C#N)C(=[NH2+])O1)c1ccccc1[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C17H14N3O7/c1-25-13(21)7-12-15(17(22)26-2)14(10(8-18)16(19)27-12)9-5-3-4-6-11(9)20(23)24/h3-6,14,19H,7H2,1-2H3/q-1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 8.20E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair