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76 similar compounds to monomer 50133349

Compile data set for download or QSAR
Wt: 405.4
BDBM50004548
Wt: 592.6
BDBM50041537
Wt: 571.0
BDBM50044467
Wt: 386.8
BDBM50086356
Wt: 129.1
BDBM50063499
Purchase
Wt: 533.5
BDBM50054460
Wt: 260.2
BDBM50133287
Wt: 302.2
BDBM50133289
Wt: 326.2
BDBM50133300
Wt: 403.4
BDBM50133304
Wt: 437.4
BDBM50133308
Wt: 418.4
BDBM50133309
Wt: 445.9
BDBM50133314
Wt: 431.9
BDBM50133315
Wt: 381.4
BDBM50133316
Displayed 1 to 15 (of 76 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50004548,50041537,50044467,50086356,50063499,50054460,50133287,50133289,50133300,50133304,50133308,50133309,50133314,50133315,50133316   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50004548
PNG
(CHEMBL2216864)
Show SMILES CC(Nc1ncnc2[nH]cnc12)c1c(nc2c(C)cccn12)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H17F2N7/c1-11-4-3-5-30-18(12(2)28-20-17-19(25-9-24-17)26-10-27-20)16(29-21(11)30)13-6-14(22)8-15(23)7-13/h3-10,12H,1-2H3,(H2,24,25,26,27,28)
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n/an/a<200n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133304
PNG
(CHEMBL3634977)
Show SMILES C[C@@H](N(CCCCCNC(C)=O)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C17H26FN3O5S/c1-12-11-15(7-8-16(12)18)27(25,26)21(13(2)17(23)20-24)10-6-4-5-9-19-14(3)22/h7-8,11,13,24H,4-6,9-10H2,1-3H3,(H,19,22)(H,20,23)/t13-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 5 mins by FRET assay


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50041537
PNG
(CHEMBL3358402)
Show SMILES CN(C)c1cc2ccn(-c3cccc(-c4cc(Nc5ccc(cn5)N5CCN(C)CC5)c(=O)n(C)c4)c3CO)c(=O)c2cn1
Show InChI InChI=1S/C33H36N8O3/c1-37(2)31-17-22-10-11-41(32(43)26(22)19-35-31)29-7-5-6-25(27(29)21-42)23-16-28(33(44)39(4)20-23)36-30-9-8-24(18-34-30)40-14-12-38(3)13-15-40/h5-11,16-20,42H,12-15,21H2,1-4H3,(H,34,36)
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n/an/a 1.03E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BTK in human Ramos cells assessed as reduction in IgM-induced calcium influx incubated for 20 mins by Fluo-4 dye based fluorescence ass...


Bioorg Med Chem 23: 348-64 (2015)


Article DOI: 10.1016/j.bmc.2014.11.006
BindingDB Entry DOI: 10.7270/Q23B61RJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50041537
PNG
(CHEMBL3358402)
Show SMILES CN(C)c1cc2ccn(-c3cccc(-c4cc(Nc5ccc(cn5)N5CCN(C)CC5)c(=O)n(C)c4)c3CO)c(=O)c2cn1
Show InChI InChI=1S/C33H36N8O3/c1-37(2)31-17-22-10-11-41(32(43)26(22)19-35-31)29-7-5-6-25(27(29)21-42)23-16-28(33(44)39(4)20-23)36-30-9-8-24(18-34-30)40-14-12-38(3)13-15-40/h5-11,16-20,42H,12-15,21H2,1-4H3,(H,34,36)
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n/an/a 431n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin) using biotin-labeled peptide substrate incubated for 1 hr by TR-FRET based HTRF kinase assay


Bioorg Med Chem 23: 348-64 (2015)


Article DOI: 10.1016/j.bmc.2014.11.006
BindingDB Entry DOI: 10.7270/Q23B61RJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50044467
PNG
(CHEMBL3357462)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC4CC3CC4O)c2)ncc1Cl
Show InChI InChI=1S/C27H31ClN6O4S/c1-16(2)39(37,38)24-9-4-3-8-22(24)32-26-21(28)13-29-27(33-26)31-19-7-5-6-18(11-19)30-25(36)15-34-14-17-10-20(34)12-23(17)35/h3-9,11,13,16-17,20,23,35H,10,12,14-15H2,1-2H3,(H,30,36)(H2,29,31,32,33)
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n/an/a 112n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) after 60 mins by ELISA


J Med Chem 58: 197-211 (2015)


Article DOI: 10.1021/jm5005144
BindingDB Entry DOI: 10.7270/Q2FB54MQ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50044467
PNG
(CHEMBL3357462)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC4CC3CC4O)c2)ncc1Cl
Show InChI InChI=1S/C27H31ClN6O4S/c1-16(2)39(37,38)24-9-4-3-8-22(24)32-26-21(28)13-29-27(33-26)31-19-7-5-6-18(11-19)30-25(36)15-34-14-17-10-20(34)12-23(17)35/h3-9,11,13,16-17,20,23,35H,10,12,14-15H2,1-2H3,(H,30,36)(H2,29,31,32,33)
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n/an/a 3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) after 60 mins by ELISA


J Med Chem 58: 197-211 (2015)


Article DOI: 10.1021/jm5005144
BindingDB Entry DOI: 10.7270/Q2FB54MQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054460
PNG
(CHEMBL3323085)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor 3


(MOUSE)
BDBM50054460
PNG
(CHEMBL3323085)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054460
PNG
(CHEMBL3323085)
Show SMILES Cn1cc(cn1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
GABA transporter 1


(Rattus norvegicus)
BDBM50063499
PNG
((R)-Homoproline | CHEMBL1163348)
Show SMILES OC(=O)C[C@H]1CCCN1
Show InChI InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
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n/an/a 2.40E+5n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cells by [3H]GABA uptake assay


Bioorg Med Chem 23: 1284-306 (2015)


Article DOI: 10.1016/j.bmc.2015.01.035
BindingDB Entry DOI: 10.7270/Q2QR4ZTK
More data for this
Ligand-Target Pair
SLC6A4


(MOUSE)
BDBM50063499
PNG
((R)-Homoproline | CHEMBL1163348)
Show SMILES OC(=O)C[C@H]1CCCN1
Show InChI InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
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n/an/a 1.12E+6n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT4 expressed in HEK293 cells by [3H]GABA uptake assay


Bioorg Med Chem 23: 1284-306 (2015)


Article DOI: 10.1016/j.bmc.2015.01.035
BindingDB Entry DOI: 10.7270/Q2QR4ZTK
More data for this
Ligand-Target Pair
SLC6A3


(MOUSE)
BDBM50063499
PNG
((R)-Homoproline | CHEMBL1163348)
Show SMILES OC(=O)C[C@H]1CCCN1
Show InChI InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
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n/an/a 3.39E+5n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells by [3H]GABA uptake assay


Bioorg Med Chem 23: 1284-306 (2015)


Article DOI: 10.1016/j.bmc.2015.01.035
BindingDB Entry DOI: 10.7270/Q2QR4ZTK
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086356
PNG
(CHEMBL3426052)
Show SMILES COc1cc(cc2c(Nc3ccc(F)c(Cl)c3)ncnc12)-c1cncs1
Show InChI InChI=1S/C18H12ClFN4OS/c1-25-15-5-10(16-7-21-9-26-16)4-12-17(15)22-8-23-18(12)24-11-2-3-14(20)13(19)6-11/h2-9H,1H3,(H,22,23,24)
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n/an/a 4.71E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086356
PNG
(CHEMBL3426052)
Show SMILES COc1cc(cc2c(Nc3ccc(F)c(Cl)c3)ncnc12)-c1cncs1
Show InChI InChI=1S/C18H12ClFN4OS/c1-25-15-5-10(16-7-21-9-26-16)4-12-17(15)22-8-23-18(12)24-11-2-3-14(20)13(19)6-11/h2-9H,1H3,(H,22,23,24)
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133287
PNG
(CHEMBL3634935)
Show SMILES CN(C)C(=O)c1ccc2c(ccc(O)c2n1)C(O)=O
Show InChI InChI=1S/C13H12N2O4/c1-15(2)12(17)9-5-3-7-8(13(18)19)4-6-10(16)11(7)14-9/h3-6,16H,1-2H3,(H,18,19)
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n/an/a 3.70E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133289
PNG
(CHEMBL3634953)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H14N2O5/c18-12-4-2-10(15(20)21)9-1-3-11(16-13(9)12)14(19)17-5-7-22-8-6-17/h1-4,18H,5-8H2,(H,20,21)
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n/an/a 5.10E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50133300
PNG
(CHEMBL3634943)
Show SMILES OC(=O)c1ccc(O)c2nc(ccc12)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C17H11FN2O4/c18-11-3-1-2-4-12(11)20-16(22)13-7-5-9-10(17(23)24)6-8-14(21)15(9)19-13/h1-8,21H,(H,20,22)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay


Eur J Med Chem 105: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.013
BindingDB Entry DOI: 10.7270/Q2ZG6V2N
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133304
PNG
(CHEMBL3634977)
Show SMILES C[C@@H](N(CCCCCNC(C)=O)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C17H26FN3O5S/c1-12-11-15(7-8-16(12)18)27(25,26)21(13(2)17(23)20-24)10-6-4-5-9-19-14(3)22/h7-8,11,13,24H,4-6,9-10H2,1-3H3,(H,19,22)(H,20,23)/t13-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 10 mins by mobility shift protease assay using 8 uM FITC as substrate


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133308
PNG
(CHEMBL3634973)
Show SMILES C[C@@H](N(Cc1ccc(CNC(C)=O)cc1)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C20H24FN3O5S/c1-13-10-18(8-9-19(13)21)30(28,29)24(14(2)20(26)23-27)12-17-6-4-16(5-7-17)11-22-15(3)25/h4-10,14,27H,11-12H2,1-3H3,(H,22,25)(H,23,26)/t14-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 10 mins by mobility shift protease assay using 8 uM FITC as substrate


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133309
PNG
(CHEMBL3634972)
Show SMILES C[C@@H](N(CCCCCCCC(O)=O)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C18H27FN2O6S/c1-13-12-15(9-10-16(13)19)28(26,27)21(14(2)18(24)20-25)11-7-5-3-4-6-8-17(22)23/h9-10,12,14,25H,3-8,11H2,1-2H3,(H,20,24)(H,22,23)/t14-/m1/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 10 mins by mobility shift protease assay using 8 uM FITC as substrate


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133314
PNG
(CHEMBL3634967)
Show SMILES Cl.C[C@@H](N(Cc1ccc(CCN)cc1)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C19H24FN3O4S.ClH/c1-13-11-17(7-8-18(13)20)28(26,27)23(14(2)19(24)22-25)12-16-5-3-15(4-6-16)9-10-21;/h3-8,11,14,25H,9-10,12,21H2,1-2H3,(H,22,24);1H/t14-;/m1./s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 10 mins by mobility shift protease assay using 8 uM FITC as substrate


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133315
PNG
(CHEMBL3634966)
Show SMILES Cl.C[C@@H](N(Cc1cccc(CN)c1)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C18H22FN3O4S.ClH/c1-12-8-16(6-7-17(12)19)27(25,26)22(13(2)18(23)21-24)11-15-5-3-4-14(9-15)10-20;/h3-9,13,24H,10-11,20H2,1-2H3,(H,21,23);1H/t13-;/m1./s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 10 mins by mobility shift protease assay using 8 uM FITC as substrate


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133316
PNG
(CHEMBL3634965)
Show SMILES C[C@@H](N(Cc1ccc(N)cc1)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C17H20FN3O4S/c1-11-9-15(7-8-16(11)18)26(24,25)21(12(2)17(22)20-23)10-13-3-5-14(19)6-4-13/h3-9,12,23H,10,19H2,1-2H3,(H,20,22)/t12-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 10 mins by mobility shift protease assay using 8 uM FITC as substrate


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133316
PNG
(CHEMBL3634965)
Show SMILES C[C@@H](N(Cc1ccc(N)cc1)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C17H20FN3O4S/c1-11-9-15(7-8-16(11)18)26(24,25)21(12(2)17(22)20-23)10-13-3-5-14(19)6-4-13/h3-9,12,23H,10,19H2,1-2H3,(H,20,22)/t12-/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 5 mins by FRET assay


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133315
PNG
(CHEMBL3634966)
Show SMILES Cl.C[C@@H](N(Cc1cccc(CN)c1)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C18H22FN3O4S.ClH/c1-12-8-16(6-7-17(12)19)27(25,26)22(13(2)18(23)21-24)11-15-5-3-4-14(9-15)10-20;/h3-9,13,24H,10-11,20H2,1-2H3,(H,21,23);1H/t13-;/m1./s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 5 mins by FRET assay


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133314
PNG
(CHEMBL3634967)
Show SMILES Cl.C[C@@H](N(Cc1ccc(CCN)cc1)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C19H24FN3O4S.ClH/c1-13-11-17(7-8-18(13)20)28(26,27)23(14(2)19(24)22-25)12-16-5-3-15(4-6-16)9-10-21;/h3-8,11,14,25H,9-10,12,21H2,1-2H3,(H,22,24);1H/t14-;/m1./s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 5 mins by FRET assay


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133309
PNG
(CHEMBL3634972)
Show SMILES C[C@@H](N(CCCCCCCC(O)=O)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C18H27FN2O6S/c1-13-12-15(9-10-16(13)19)28(26,27)21(14(2)18(24)20-25)11-7-5-3-4-6-8-17(22)23/h9-10,12,14,25H,3-8,11H2,1-2H3,(H,20,24)(H,22,23)/t14-/m1/s1
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n/an/a 9.10E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 5 mins by FRET assay


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50133308
PNG
(CHEMBL3634973)
Show SMILES C[C@@H](N(Cc1ccc(CNC(C)=O)cc1)S(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
Show InChI InChI=1S/C20H24FN3O5S/c1-13-10-18(8-9-19(13)21)30(28,29)24(14(2)20(26)23-27)12-17-6-4-16(5-7-17)11-22-15(3)25/h4-10,14,27H,11-12H2,1-3H3,(H,22,25)(H,23,26)/t14-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Lethal factor after 5 mins by FRET assay


J Med Chem 58: 8723-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01446
BindingDB Entry DOI: 10.7270/Q2TQ63CR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50004548
PNG
(CHEMBL2216864)
Show SMILES CC(Nc1ncnc2[nH]cnc12)c1c(nc2c(C)cccn12)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H17F2N7/c1-11-4-3-5-30-18(12(2)28-20-17-19(25-9-24-17)26-10-27-20)16(29-21(11)30)13-6-14(22)8-15(23)7-13/h3-10,12H,1-2H3,(H2,24,25,26,27,28)
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n/an/a<500n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta-mediated AKT phosphorylation in human Ramos cells by ELISA


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair