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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50384354   
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))
BDBM50384354
PNG
(CHEMBL2031023)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H44ClN5O5S/c1-5-7-22-45(23-8-6-2)41(50)38-37(42)28(4)47(43-38)36-20-18-32(26-35(36)40(49)46-24-21-30-14-11-12-16-34(30)27(46)3)39(48)44-53(51,52)33-19-17-29-13-9-10-15-31(29)25-33/h9-20,25-27H,5-8,21-24H2,1-4H3,(H,44,48)
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 590n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384354
PNG
(CHEMBL2031023)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H44ClN5O5S/c1-5-7-22-45(23-8-6-2)41(50)38-37(42)28(4)47(43-38)36-20-18-32(26-35(36)40(49)46-24-21-30-14-11-12-16-34(30)27(46)3)39(48)44-53(51,52)33-19-17-29-13-9-10-15-31(29)25-33/h9-20,25-27H,5-8,21-24H2,1-4H3,(H,44,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 710n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair