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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

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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 = 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 |t:5|
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

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PC cid
PC sid
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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