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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 = 'BDBM50181871'   
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))
BDBM50181871
PNG
(4-{4-[3-nitro-4-(2-phenylsulfanylethylamino)benzen...)
Show SMILES CN(C)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N6O6S2/c1-31(2)28(36)33-17-15-32(16-18-33)22-10-8-21(9-11-22)27(35)30-42(39,40)24-12-13-25(26(20-24)34(37)38)29-14-19-41-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,35)
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MMDB

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PC sid
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Similars

Article
PubMed
294n/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))
BDBM50181871
PNG
(4-{4-[3-nitro-4-(2-phenylsulfanylethylamino)benzen...)
Show SMILES CN(C)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N6O6S2/c1-31(2)28(36)33-17-15-32(16-18-33)22-10-8-21(9-11-22)27(35)30-42(39,40)24-12-13-25(26(20-24)34(37)38)29-14-19-41-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
869n/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