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SMILES: CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O

InChI Key: InChIKey=GMJFNNNSNDVVLY-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 90096   
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))
BDBM90096
PNG
(MLS000578964 | SMR000198786 | butyl 3-(3-methylphe...)
Show SMILES CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O
Show InChI InChI=1S/C21H20O6/c1-3-4-10-24-21(23)27-16-8-9-17-18(12-16)25-13-19(20(17)22)26-15-7-5-6-14(2)11-15/h5-9,11-13H,3-4,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.86E+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
Corticotropin-releasing factor-binding protein


(Homo sapiens (Human))
BDBM90096
PNG
(MLS000578964 | SMR000198786 | butyl 3-(3-methylphe...)
Show SMILES CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O
Show InChI InChI=1S/C21H20O6/c1-3-4-10-24-21(23)27-16-8-9-17-18(12-16)25-13-19(20(17)22)26-15-7-5-6-14(2)11-15/h5-9,11-13H,3-4,10H2,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.30E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair