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Compile Data Set for Download or QSAR

Found 33 hits of ic50 for UniProtKB: P15917   
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
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010577
PNG
(CHEMBL3264402)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(Br)cc1F
Show InChI InChI=1S/C16H15BrFN3O/c1-10-4-3-5-11(2)15(10)20-16(22)21-19-9-12-6-7-13(17)8-14(12)18/h3-9H,1-2H3,(H2,20,21,22)/b19-9+
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n/an/a 400n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010576
PNG
(CHEMBL3264401)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN3O/c1-11-4-3-5-12(2)15(11)19-16(21)20-18-10-13-6-8-14(17)9-7-13/h3-10H,1-2H3,(H2,19,20,21)/b18-10+
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010639
PNG
(CHEMBL3264426)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(Br)c(F)c1
Show InChI InChI=1S/C16H15BrFN3O/c1-10-4-3-5-11(2)15(10)20-16(22)21-19-9-12-6-7-13(17)14(18)8-12/h3-9H,1-2H3,(H2,20,21,22)/b19-9+
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010646
PNG
(CHEMBL3264432)
Show SMILES Cc1cccc(C)c1NC(=S)N\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN3S/c1-11-4-3-5-12(2)15(11)19-16(21)20-18-10-13-6-8-14(17)9-7-13/h3-10H,1-2H3,(H2,19,20,21)/b18-10+
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010627
PNG
(CHEMBL3264414)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(cc1)C#C
Show InChI InChI=1S/C18H17N3O/c1-4-15-8-10-16(11-9-15)12-19-21-18(22)20-17-13(2)6-5-7-14(17)3/h1,5-12H,2-3H3,(H2,20,21,22)/b19-12+
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010635
PNG
(CHEMBL3264423)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(Br)s1
Show InChI InChI=1S/C14H14BrN3OS/c1-9-4-3-5-10(2)13(9)17-14(19)18-16-8-11-6-7-12(15)20-11/h3-8H,1-2H3,(H2,17,18,19)/b16-8+
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010578
PNG
(CHEMBL3264403)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClN3O/c1-11-4-3-5-12(2)15(11)19-16(21)20-18-10-13-6-8-14(17)9-7-13/h3-10H,1-2H3,(H2,19,20,21)/b18-10+
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010630
PNG
(CHEMBL3264416)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(I)cc1
Show InChI InChI=1S/C16H16IN3O/c1-11-4-3-5-12(2)15(11)19-16(21)20-18-10-13-6-8-14(17)9-7-13/h3-10H,1-2H3,(H2,19,20,21)/b18-10+
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010581
PNG
(CHEMBL3264406)
Show SMILES Cc1ccc(\C=N\NC(=O)Nc2c(C)cccc2C)cc1F
Show InChI InChI=1S/C17H18FN3O/c1-11-7-8-14(9-15(11)18)10-19-21-17(22)20-16-12(2)5-4-6-13(16)3/h4-10H,1-3H3,(H2,20,21,22)/b19-10+
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010643
PNG
(CHEMBL3264430)
Show SMILES CN(\N=C\c1ccc(Br)cc1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C17H18BrN3O/c1-12-5-4-6-13(2)16(12)20-17(22)21(3)19-11-14-7-9-15(18)10-8-14/h4-11H,1-3H3,(H,20,22)/b19-11+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010583
PNG
(CHEMBL3264408)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(F)cc1F
Show InChI InChI=1S/C16H15F2N3O/c1-10-4-3-5-11(2)15(10)20-16(22)21-19-9-12-6-7-13(17)8-14(12)18/h3-9H,1-2H3,(H2,20,21,22)/b19-9+
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010647
PNG
(CHEMBL3264435)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(cc1F)N=[N+]=[N-]
Show InChI InChI=1S/C16H15FN6O/c1-10-4-3-5-11(2)15(10)20-16(24)22-19-9-12-6-7-13(21-23-18)8-14(12)17/h3-9H,1-2H3,(H2,20,22,24)/b19-9+
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010632
PNG
(CHEMBL3264418)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(cc1)C#N
Show InChI InChI=1S/C17H16N4O/c1-12-4-3-5-13(2)16(12)20-17(22)21-19-11-15-8-6-14(10-18)7-9-15/h3-9,11H,1-2H3,(H2,20,21,22)/b19-11+
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010642
PNG
(CHEMBL3264428)
Show SMILES C\C(=N/NC(=O)Nc1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C17H18BrN3O/c1-11-5-4-6-12(2)16(11)19-17(22)21-20-13(3)14-7-9-15(18)10-8-14/h4-10H,1-3H3,(H2,19,21,22)/b20-13+
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010631
PNG
(CHEMBL3264417)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N3O/c1-11-4-3-5-12(2)15(11)22-16(24)23-21-10-13-6-8-14(9-7-13)17(18,19)20/h3-10H,1-2H3,(H2,22,23,24)/b21-10+
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010648
PNG
(CHEMBL3264436)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C16H16N6O/c1-11-4-3-5-12(2)15(11)19-16(23)21-18-10-13-6-8-14(9-7-13)20-22-17/h3-10H,1-2H3,(H2,19,21,23)/b18-10+
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010601
PNG
(CHEMBL196477)
Show SMILES Cc1ccc(\C=N\NC(=O)Nc2c(C)cccc2C)cc1
Show InChI InChI=1S/C17H19N3O/c1-12-7-9-15(10-8-12)11-18-20-17(21)19-16-13(2)5-4-6-14(16)3/h4-11H,1-3H3,(H2,19,20,21)/b18-11+
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010619
PNG
(CHEMBL3264412)
Show SMILES CCc1ccc(\C=N\NC(=O)Nc2c(C)cccc2C)cc1
Show InChI InChI=1S/C18H21N3O/c1-4-15-8-10-16(11-9-15)12-19-21-18(22)20-17-13(2)6-5-7-14(17)3/h5-12H,4H2,1-3H3,(H2,20,21,22)/b19-12+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010638
PNG
(CHEMBL3264425)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(Br)cc1Cl
Show InChI InChI=1S/C16H15BrClN3O/c1-10-4-3-5-11(2)15(10)20-16(22)21-19-9-12-6-7-13(17)8-14(12)18/h3-9H,1-2H3,(H2,20,21,22)/b19-9+
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010641
PNG
(CHEMBL3264427)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(Br)c(Cl)c1
Show InChI InChI=1S/C16H15BrClN3O/c1-10-4-3-5-11(2)15(10)20-16(22)21-19-9-12-6-7-13(17)14(18)8-12/h3-9H,1-2H3,(H2,20,21,22)/b19-9+
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010636
PNG
(CHEMBL3264424)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1c(F)cc(Br)cc1F
Show InChI InChI=1S/C16H14BrF2N3O/c1-9-4-3-5-10(2)15(9)21-16(23)22-20-8-12-13(18)6-11(17)7-14(12)19/h3-8H,1-2H3,(H2,21,22,23)/b20-8+
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010623
PNG
(CHEMBL3264413)
Show SMILES CC(C)c1ccc(\C=N\NC(=O)Nc2c(C)cccc2C)cc1
Show InChI InChI=1S/C19H23N3O/c1-13(2)17-10-8-16(9-11-17)12-20-22-19(23)21-18-14(3)6-5-7-15(18)4/h5-13H,1-4H3,(H2,21,22,23)/b20-12+
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010582
PNG
(CHEMBL3264407)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(F)cc1
Show InChI InChI=1S/C16H16FN3O/c1-11-4-3-5-12(2)15(11)19-16(21)20-18-10-13-6-8-14(17)9-7-13/h3-10H,1-2H3,(H2,19,20,21)/b18-10+
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010579
PNG
(CHEMBL3264405)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccccc1F
Show InChI InChI=1S/C16H16FN3O/c1-11-6-5-7-12(2)15(11)19-16(21)20-18-10-13-8-3-4-9-14(13)17/h3-10H,1-2H3,(H2,19,20,21)/b18-10+
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010625
PNG
(CHEMBL196325)
Show SMILES COc1ccc(\C=N\NC(=O)Nc2c(C)cccc2C)cc1
Show InChI InChI=1S/C17H19N3O2/c1-12-5-4-6-13(2)16(12)19-17(21)20-18-11-14-7-9-15(22-3)10-8-14/h4-11H,1-3H3,(H2,19,20,21)/b18-11+
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n/an/a>1.25E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010574
PNG
(CHEMBL3264399)
Show SMILES CCc1cccc(CC)c1NC(=O)N\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C18H20BrN3O/c1-3-14-6-5-7-15(4-2)17(14)21-18(23)22-20-12-13-8-10-16(19)11-9-13/h5-12H,3-4H2,1-2H3,(H2,21,22,23)/b20-12+
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n/an/a>1.25E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010645
PNG
(CHEMBL3264431)
Show SMILES Cc1cccc(C)c1NC(=O)N(CC#C)\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C19H18BrN3O/c1-4-12-23(21-13-16-8-10-17(20)11-9-16)19(24)22-18-14(2)6-5-7-15(18)3/h1,5-11,13H,12H2,2-3H3,(H,22,24)/b21-13+
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n/an/a>1.25E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010572
PNG
(CHEMBL3264398)
Show SMILES Cc1cc(C)c(NC(=O)N\N=C\c2ccc(Br)cc2)c(C)c1
Show InChI InChI=1S/C17H18BrN3O/c1-11-8-12(2)16(13(3)9-11)20-17(22)21-19-10-14-4-6-15(18)7-5-14/h4-10H,1-3H3,(H2,20,21,22)/b19-10+
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n/an/a 1.26E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010590
PNG
(CHEMBL3259866)
Show SMILES Cc1cccc(\C=N\NC(=O)Nc2c(C)cccc2C)c1
Show InChI InChI=1S/C17H19N3O/c1-12-6-4-9-15(10-12)11-18-20-17(21)19-16-13(2)7-5-8-14(16)3/h4-11H,1-3H3,(H2,19,20,21)/b18-11+
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n/an/a 1.34E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010649
PNG
(CHEMBL3264739)
Show SMILES Cc1cccc(C)c1\N=C(/N)N\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C16H17BrN4/c1-11-4-3-5-12(2)15(11)20-16(18)21-19-10-13-6-8-14(17)9-7-13/h3-10H,1-2H3,(H3,18,20,21)/b19-10+
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n/an/a 1.38E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010650
PNG
(CHEMBL3264738)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
Show InChI InChI=1S/C16H12F4N6O/c1-7-4-3-5-8(2)14(7)23-16(27)25-22-6-9-10(17)12(19)15(24-26-21)13(20)11(9)18/h3-6H,1-2H3,(H2,23,25,27)/b22-6+
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010633
PNG
(CHEMBL3264421)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1ccc(Br)o1
Show InChI InChI=1S/C14H14BrN3O2/c1-9-4-3-5-10(2)13(9)17-14(19)18-16-8-11-6-7-12(15)20-11/h3-8H,1-2H3,(H2,17,18,19)/b16-8+
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair
Lethal factor/Protective antigen


(Bacillus anthracis)		BDBM50010634
PNG
(CHEMBL3264422)
Show SMILES Cc1cccc(C)c1NC(=O)N\N=C\c1cccs1
Show InChI InChI=1S/C14H15N3OS/c1-10-5-3-6-11(2)13(10)16-14(18)17-15-9-12-7-4-8-19-12/h3-9H,1-2H3,(H2,16,17,18)/b15-9+
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured aft...

ACS Med Chem Lett 5: 363-7 (2014)


Article DOI: 10.1021/ml400486k
BindingDB Entry DOI: 10.7270/Q2M61MTV
More data for this
Ligand-Target Pair