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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 = 'BDBM50020933'   
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))
BDBM50020933
PNG
(CHEMBL3287296)
Show SMILES OC(=O)c1nc(ccc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C32H28N4O4S/c37-30(35-32-33-26-13-4-5-14-27(26)41-32)24-12-6-8-21-17-18-36(20-25(21)24)28-16-15-22(29(34-28)31(38)39)9-7-19-40-23-10-2-1-3-11-23/h1-6,8,10-16H,7,9,17-20H2,(H,38,39)(H,33,35,37)
PDB
MMDB

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Article
PubMed
11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00568
BindingDB Entry DOI: 10.7270/Q2542S8D
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50020933
PNG
(CHEMBL3287296)
Show SMILES OC(=O)c1nc(ccc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C32H28N4O4S/c37-30(35-32-33-26-13-4-5-14-27(26)41-32)24-12-6-8-21-17-18-36(20-25(21)24)28-16-15-22(29(34-28)31(38)39)9-7-19-40-23-10-2-1-3-11-23/h1-6,8,10-16H,7,9,17-20H2,(H,38,39)(H,33,35,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay


ACS Med Chem Lett 5: 662-7 (2014)


Article DOI: 10.1021/ml500030p
BindingDB Entry DOI: 10.7270/Q2KP83QG
More data for this
Ligand-Target Pair