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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptotic protease-activating factor 1' and Ligand = 'BDBM80290'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM80290
PNG
((8R)-7-[2-(4-chloranylphenoxy)ethanoyl]-3-[3-(2-me...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)COc2ccc(Cl)cc2)C(N)=O)C1 |t:13|
Show InChI InChI=1S/C25H25ClN4O5/c1-15(2)24(33)28-18-5-3-4-16(10-18)20-11-25(35-29-20)12-21(23(27)32)30(14-25)22(31)13-34-19-8-6-17(26)7-9-19/h3-10,21H,1,11-14H2,2H3,(H2,27,32)(H,28,33)/t21-,25?/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.23E+3n/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/Q29C6VXX
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM80290
PNG
((8R)-7-[2-(4-chloranylphenoxy)ethanoyl]-3-[3-(2-me...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)COc2ccc(Cl)cc2)C(N)=O)C1 |t:13|
Show InChI InChI=1S/C25H25ClN4O5/c1-15(2)24(33)28-18-5-3-4-16(10-18)20-11-25(35-29-20)12-21(23(27)32)30(14-25)22(31)13-34-19-8-6-17(26)7-9-19/h3-10,21H,1,11-14H2,2H3,(H2,27,32)(H,28,33)/t21-,25?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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