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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 = 'BDBM50181883'   
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))
BDBM50181883
PNG
(3-{2-methoxy-4'-[3-nitro-4-(2-phenylsulfanylethyla...)
Show SMILES COc1cc(CCC(=O)N(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C33H34N4O7S2/c1-36(2)32(38)18-10-23-9-16-28(31(21-23)44-3)24-11-13-25(14-12-24)33(39)35-46(42,43)27-15-17-29(30(22-27)37(40)41)34-19-20-45-26-7-5-4-6-8-26/h4-9,11-17,21-22,34H,10,18-20H2,1-3H3,(H,35,39)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)


Article DOI: 10.1021/jm050754u
BindingDB Entry DOI: 10.7270/Q2VM4BT0
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50181883
PNG
(3-{2-methoxy-4'-[3-nitro-4-(2-phenylsulfanylethyla...)
Show SMILES COc1cc(CCC(=O)N(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C33H34N4O7S2/c1-36(2)32(38)18-10-23-9-16-28(31(21-23)44-3)24-11-13-25(14-12-24)33(39)35-46(42,43)27-15-17-29(30(22-27)37(40)41)34-19-20-45-26-7-5-4-6-8-26/h4-9,11-17,21-22,34H,10,18-20H2,1-3H3,(H,35,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL in 1% human serum by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)


Article DOI: 10.1021/jm050754u
BindingDB Entry DOI: 10.7270/Q2VM4BT0
More data for this
Ligand-Target Pair