BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 12 hits from Ernst-Moritz-Arndt-University   
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
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50304913
PNG
((2R,3R,4R,5R)-2-(6-amino-2-oxopyrimidin-1(2H)-yl)-...)
Show SMILES CNc1ccccc1C(=O)O[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(N)nc1=O
Show InChI InChI=1S/C17H23N4O15P3/c1-19-10-5-3-2-4-9(10)16(23)34-14-13(22)11(33-15(14)21-7-6-12(18)20-17(21)24)8-32-38(28,29)36-39(30,31)35-37(25,26)27/h2-7,11,13-15,19,22H,8H2,1H3,(H,28,29)(H,30,31)(H2,18,20,24)(H2,25,26,27)/t11-,13-,14-,15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor catalytic domain by radiometric assay


Bioorg Med Chem Lett 20: 232-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.125
BindingDB Entry DOI: 10.7270/Q2CF9Q5V
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50206817
PNG
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-...)
Show SMILES CNc1ccccc1C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H23N6O14P3/c1-20-10-5-3-2-4-9(10)18(26)36-14-11(6-34-40(30,31)38-41(32,33)37-39(27,28)29)35-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H,32,33)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
980n/an/an/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor catalytic domain by radiometric assay


Bioorg Med Chem Lett 20: 232-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.125
BindingDB Entry DOI: 10.7270/Q2CF9Q5V
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50304912
PNG
((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydr...)
Show SMILES CNc1ccccc1C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C19H24Cl2N7O12P3/c1-23-10-5-3-2-4-9(10)17(30)27-12-14(29)11(39-18(12)28-8-26-13-15(22)24-7-25-16(13)28)6-38-43(36,37)40-42(34,35)19(20,21)41(31,32)33/h2-5,7-8,11-12,14,18,23,29H,6H2,1H3,(H,27,30)(H,34,35)(H,36,37)(H2,22,24,25)(H2,31,32,33)/t11-,12-,14-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.98E+3n/an/an/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor catalytic domain by radiometric assay


Bioorg Med Chem Lett 20: 232-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.125
BindingDB Entry DOI: 10.7270/Q2CF9Q5V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50218582
PNG
(CHEMBL123993)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)C2CC3CCC(O)CC3N2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(OS(O)(=O)=O)cc2)C1O
Show InChI InChI=1S/C15H11Cl2N3O/c1-21-10-2-3-11-9(4-10)6-19-20-15(11)5-12-13(16)7-18-8-14(12)17/h2-4,6-8H,5H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54.6n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA


Bioorg Med Chem Lett 10: 779-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00101-3
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50218582
PNG
(CHEMBL123993)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)C2CC3CCC(O)CC3N2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(OS(O)(=O)=O)cc2)C1O
Show InChI InChI=1S/C15H11Cl2N3O/c1-21-10-2-3-11-9(4-10)6-19-20-15(11)5-12-13(16)7-18-8-14(12)17/h2-4,6-8H,5H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 272n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay


Bioorg Med Chem Lett 10: 779-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00101-3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50218582
PNG
(CHEMBL123993)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)C2CC3CCC(O)CC3N2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(OS(O)(=O)=O)cc2)C1O
Show InChI InChI=1S/C15H11Cl2N3O/c1-21-10-2-3-11-9(4-10)6-19-20-15(11)5-12-13(16)7-18-8-14(12)17/h2-4,6-8H,5H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 409n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA


Bioorg Med Chem Lett 10: 779-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00101-3
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50218583
PNG
(CHEMBL81364)
Show SMILES CCC(C)C(NC(=O)C(O)Cc1ccc(O)c(Cl)c1)C(=O)N1C2CC(CCC2CC1C(=O)NCCCCN=C(N)N)OS(O)(=O)=O
Show InChI InChI=1S/C17H12Cl2N6O/c1-26-10-2-3-11-12(4-10)17(25-9-21-8-22-25)24-23-16(11)5-13-14(18)6-20-7-15(13)19/h2-4,6-9H,5H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA


Bioorg Med Chem Lett 10: 779-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00101-3
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50218585
PNG
(CHEMBL3085289)
Show SMILES CCC(C)C(NC(=O)C(O)Cc1ccc(O)cc1)C(=O)N1C2CC(CCC2CC1C(=O)NCCCCN=C(N)N)OS(O)(=O)=O
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-12-2-3-13-14(8-12)19(25-4-6-27-7-5-25)24-23-18(13)9-15-16(20)10-22-11-17(15)21/h2-3,8,10-11H,4-7,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 916n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay


Bioorg Med Chem Lett 10: 779-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00101-3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50218583
PNG
(CHEMBL81364)
Show SMILES CCC(C)C(NC(=O)C(O)Cc1ccc(O)c(Cl)c1)C(=O)N1C2CC(CCC2CC1C(=O)NCCCCN=C(N)N)OS(O)(=O)=O
Show InChI InChI=1S/C17H12Cl2N6O/c1-26-10-2-3-11-12(4-10)17(25-9-21-8-22-25)24-23-16(11)5-13-14(18)6-20-7-15(13)19/h2-4,6-9H,5H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA


Bioorg Med Chem Lett 10: 779-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00101-3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50218583
PNG
(CHEMBL81364)
Show SMILES CCC(C)C(NC(=O)C(O)Cc1ccc(O)c(Cl)c1)C(=O)N1C2CC(CCC2CC1C(=O)NCCCCN=C(N)N)OS(O)(=O)=O
Show InChI InChI=1S/C17H12Cl2N6O/c1-26-10-2-3-11-12(4-10)17(25-9-21-8-22-25)24-23-16(11)5-13-14(18)6-20-7-15(13)19/h2-4,6-9H,5H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of human VCAM and Ramos cell VLA-4 interaction


Bioorg Med Chem Lett 10: 779-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00101-3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50218585
PNG
(CHEMBL3085289)
Show SMILES CCC(C)C(NC(=O)C(O)Cc1ccc(O)cc1)C(=O)N1C2CC(CCC2CC1C(=O)NCCCCN=C(N)N)OS(O)(=O)=O
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-12-2-3-13-14(8-12)19(25-4-6-27-7-5-25)24-23-18(13)9-15-16(20)10-22-11-17(15)21/h2-3,8,10-11H,4-7,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of alphaL-beta2 mediated cell adhesion


Bioorg Med Chem Lett 10: 779-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00101-3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50218585
PNG
(CHEMBL3085289)
Show SMILES CCC(C)C(NC(=O)C(O)Cc1ccc(O)cc1)C(=O)N1C2CC(CCC2CC1C(=O)NCCCCN=C(N)N)OS(O)(=O)=O
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-12-2-3-13-14(8-12)19(25-4-6-27-7-5-25)24-23-18(13)9-15-16(20)10-22-11-17(15)21/h2-3,8,10-11H,4-7,9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
The inhibition of PI3K-beta, PI3K-alpha, PI3K-gamma and PI3K-delta was evaluated in a Kinase Glo based enzyme activity assay using human recombinant ...


Bioorg Med Chem Lett 10: 779-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00101-3
More data for this
Ligand-Target Pair