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BDBM50427825 CHEMBL2325771

SMILES: CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(Cl)n(C)c1-c1ccc(Cl)cc1

InChI Key: InChIKey=HUYKYYSAKGTVLJ-PGUFJCEWSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50427825   
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))
BDBM50427825
PNG
(CHEMBL2325771)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(Cl)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H47Cl2N7O6S2/c1-51(2)23-22-35(30-62-38-10-5-4-6-11-38)49-40-21-20-39(29-41(40)55(58)59)63(60,61)50-34-16-18-36(19-17-34)53-24-26-54(27-25-53)37-9-7-8-32(28-37)42-43(46(56)57)45(48)52(3)44(42)31-12-14-33(47)15-13-31/h4-21,28-29,35,49-50H,22-27,30H2,1-3H3,(H,56,57)/t35-/m1/s1
PDB
MMDB

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DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM50427825
PNG
(CHEMBL2325771)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(Cl)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H47Cl2N7O6S2/c1-51(2)23-22-35(30-62-38-10-5-4-6-11-38)49-40-21-20-39(29-41(40)55(58)59)63(60,61)50-34-16-18-36(19-17-34)53-24-26-54(27-25-53)37-9-7-8-32(28-37)42-43(46(56)57)45(48)52(3)44(42)31-12-14-33(47)15-13-31/h4-21,28-29,35,49-50H,22-27,30H2,1-3H3,(H,56,57)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair