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BDBM50362152 CHEMBL1940671

SMILES: [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=AZLAFCAERPLUTD-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50362152   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50362152
PNG
(CHEMBL1940671)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
930n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50362152
PNG
(CHEMBL1940671)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.94E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50362152
PNG
(CHEMBL1940671)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.54E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2
More data for this
Ligand-Target Pair