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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'sanchez' and Initial = 'am'   
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
Lethal factor


(Bacillus anthracis)
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1...


Antimicrob Agents Chemother 51: 2403-11 (2007)


Article DOI: 10.1128/AAC.01184-06
BindingDB Entry DOI: 10.7270/Q2765G7P
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM50240721
PNG
((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r|
Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1
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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1...


Antimicrob Agents Chemother 51: 2403-11 (2007)


Article DOI: 10.1128/AAC.01184-06
BindingDB Entry DOI: 10.7270/Q2765G7P
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM18957
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1...


Antimicrob Agents Chemother 51: 2403-11 (2007)


Article DOI: 10.1128/AAC.01184-06
BindingDB Entry DOI: 10.7270/Q2765G7P
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM78577
PNG
(BEPRIDIL HYDROCHLORIDE | Bepridil | MLS000028456 |...)
Show SMILES CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
Show InChI InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
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Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1...


Antimicrob Agents Chemother 51: 2403-11 (2007)


Article DOI: 10.1128/AAC.01184-06
BindingDB Entry DOI: 10.7270/Q2765G7P
More data for this
Ligand-Target Pair