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SMILES: Cc1cccc(C)c1NC(=O)Cn1cc(C=O)c2ccccc12

InChI Key: InChIKey=VEGCSPAUOSUYPY-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 83948   
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
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM83948
PNG
(MLS001202922 | N-(2,6-Dimethyl-phenyl)-2-(3-formyl...)
Show SMILES Cc1cccc(C)c1NC(=O)Cn1cc(C=O)c2ccccc12
Show InChI InChI=1S/C19H18N2O2/c1-13-6-5-7-14(2)19(13)20-18(23)11-21-10-15(12-22)16-8-3-4-9-17(16)21/h3-10,12H,11H2,1-2H3,(H,20,23)
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM83948
PNG
(MLS001202922 | N-(2,6-Dimethyl-phenyl)-2-(3-formyl...)
Show SMILES Cc1cccc(C)c1NC(=O)Cn1cc(C=O)c2ccccc12
Show InChI InChI=1S/C19H18N2O2/c1-13-6-5-7-14(2)19(13)20-18(23)11-21-10-15(12-22)16-8-3-4-9-17(16)21/h3-10,12H,11H2,1-2H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair