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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50044923'   
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-like protein 1


(Homo sapiens (Human))
BDBM50044923
PNG
(CHEMBL3311490)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(Cc2ccccc2-c2ccc(Cl)cc2)(CC1)C#N |r|
Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-37-14-10-34(11-15-37)42-9-5-4-6-36(42)31-46(33-52)21-24-56(25-22-46)39-16-12-35(13-17-39)45(57)54-65(60,61)41-18-19-43(44(30-41)64(58,59)47(49,50)51)53-38(20-23-55-26-28-62-29-27-55)32-63-40-7-2-1-3-8-40/h1-19,30,38,53H,20-29,31-32H2,(H,54,57)/t38-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a<10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...


Bioorg Med Chem Lett 24: 3026-33 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.036
BindingDB Entry DOI: 10.7270/Q27M09JW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50044923
PNG
(CHEMBL3311490)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(Cc2ccccc2-c2ccc(Cl)cc2)(CC1)C#N |r|
Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-37-14-10-34(11-15-37)42-9-5-4-6-36(42)31-46(33-52)21-24-56(25-22-46)39-16-12-35(13-17-39)45(57)54-65(60,61)41-18-19-43(44(30-41)64(58,59)47(49,50)51)53-38(20-23-55-26-28-62-29-27-55)32-63-40-7-2-1-3-8-40/h1-19,30,38,53H,20-29,31-32H2,(H,54,57)/t38-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.82E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BCL-xL overexpressed in mouse FDC-P1 cells assessed as cell viability after 24 hrs by Cell Titer Glo assay


Bioorg Med Chem Lett 24: 3026-33 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.036
BindingDB Entry DOI: 10.7270/Q27M09JW
More data for this
Ligand-Target Pair