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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1' and Ligand = 'BDBM79270'   
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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM79270
PNG
(GT-IR | MLS002153687 | SMR001231065 | cid_25163050)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1
Show InChI InChI=1S/C62H107N19O8/c1-6-40-87-42-44-89-45-43-88-41-31-68-60-69-61(71-62(70-60)79-38-34-77(35-39-79)55(84)27-21-17-13-9-11-15-19-23-29-66-58(86)56(51(5)82)81-47-50(4)72-74-81)78-36-32-76(33-37-78)54(83)26-20-16-12-8-10-14-18-22-28-65-57(85)53(25-24-30-67-59(63)64)80-48-52(73-75-80)46-49(3)7-2/h1,47-49,51,53,56,82H,7-46H2,2-5H3,(H,65,85)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t49-,51-,53-,56+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.14E+3n/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 (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair