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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 = 'BDBM50424726'   
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))
BDBM50424726
PNG
(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Show SMILES Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H18Cl2O3S/c1-11-8-14(9-12(2)18(11)22)25-7-3-4-16-15-6-5-13(21)10-17(15)26-19(16)20(23)24/h5-6,8-10H,3-4,7H2,1-2H3,(H,23,24)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
4.10E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl-xL (unknown origin) after 1 hr by fluorescence polarization anisotropy assay


J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424726
PNG
(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Show SMILES Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H18Cl2O3S/c1-11-8-14(9-12(2)18(11)22)25-7-3-4-16-15-6-5-13(21)10-17(15)26-19(16)20(23)24/h5-6,8-10H,3-4,7H2,1-2H3,(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2.40E+3n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10093646 (2018)


BindingDB Entry DOI: 10.7270/Q29P33PN
More data for this
Ligand-Target Pair