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BDBM50388993 CHEMBL2063896

SMILES: CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(O)=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=SKQDXOIHVDYYHR-PSXMRANNSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50388993   
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))
BDBM50388993
PNG
(CHEMBL2063896)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H48ClN7O6S2/c1-50(2)23-22-36(31-61-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)54(57)58)62(59,60)49-35-16-18-37(19-17-35)52-24-26-53(27-25-52)38-9-7-8-33(28-38)44-41(30-51(3)45(44)46(55)56)32-12-14-34(47)15-13-32/h4-21,28-30,36,48-49H,22-27,31H2,1-3H3,(H,55,56)/t36-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50388993
PNG
(CHEMBL2063896)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H48ClN7O6S2/c1-50(2)23-22-36(31-61-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)54(57)58)62(59,60)49-35-16-18-37(19-17-35)52-24-26-53(27-25-52)38-9-7-8-33(28-38)44-41(30-51(3)45(44)46(55)56)32-12-14-34(47)15-13-32/h4-21,28-30,36,48-49H,22-27,31H2,1-3H3,(H,55,56)/t36-/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM50388993
PNG
(CHEMBL2063896)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H48ClN7O6S2/c1-50(2)23-22-36(31-61-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)54(57)58)62(59,60)49-35-16-18-37(19-17-35)52-24-26-53(27-25-52)38-9-7-8-33(28-38)44-41(30-51(3)45(44)46(55)56)32-12-14-34(47)15-13-32/h4-21,28-30,36,48-49H,22-27,31H2,1-3H3,(H,55,56)/t36-/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 3.60n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair