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SMILES: CCOC(=O)N1CCC2(CC1)CC(=O)c1c(O2)ccc2oc(C(O)=O)c(C)c12

InChI Key: InChIKey=GKQJLINDMZWAQQ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100012   
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))		BDBM100012
PNG
(1'-(ethoxycarbonyl)-1-methyl-9-oxo-8,9-dihydro...)
Show SMILES CCOC(=O)N1CCC2(CC1)CC(=O)c1c(O2)ccc2oc(C(O)=O)c(C)c12
Show InChI InChI=1S/C20H21NO7/c1-3-26-19(25)21-8-6-20(7-9-21)10-12(22)16-14(28-20)5-4-13-15(16)11(2)17(27-13)18(23)24/h4-5H,3,6-10H2,1-2H3,(H,23,24)
PDB
MMDB

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PC cid
PC sid
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n/an/an/an/a 9.75E+4n/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