Found 82 hits Enz. Inhib. hit(s) with Target = 'Calmodulin-sensitive adenylate cyclase' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50304913
((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 |r| 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 KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50452691
(CHEMBL4218073)Show SMILES Nc1ncnc2n(ccc12)C1CCN(CC1)C(=O)c1ccc(cc1)S(F)(=O)=O Show InChI InChI=1S/C18H18FN5O3S/c19-28(26,27)14-3-1-12(2-4-14)18(25)23-8-5-13(6-9-23)24-10-7-15-16(20)21-11-22-17(15)24/h1-4,7,10-11,13H,5-6,8-9H2,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452676
(CHEMBL4206295)Show SMILES Cc1nc(N)c2ccn(C3CCN(CC3)C(=O)c3ccc(cc3)S(F)(=O)=O)c2n1 Show InChI InChI=1S/C19H20FN5O3S/c1-12-22-17(21)16-8-11-25(18(16)23-12)14-6-9-24(10-7-14)19(26)13-2-4-15(5-3-13)29(20,27)28/h2-5,8,11,14H,6-7,9-10H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50206817
((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 |w:15.16,19.20| 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 KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50452677
(CHEMBL4218072)Show SMILES Cc1nc(N)c2cnn(C3CCN(CC3)C(=O)c3ccc(cc3)S(F)(=O)=O)c2n1 Show InChI InChI=1S/C18H19FN6O3S/c1-11-22-16(20)15-10-21-25(17(15)23-11)13-6-8-24(9-7-13)18(26)12-2-4-14(5-3-12)29(19,27)28/h2-5,10,13H,6-9H2,1H3,(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452684
(CHEMBL4217380)Show SMILES Nc1ncnc2n(ncc12)C1CCN(CC1)C(=O)c1ccc(cc1)S(F)(=O)=O Show InChI InChI=1S/C17H17FN6O3S/c18-28(26,27)13-3-1-11(2-4-13)17(25)23-7-5-12(6-8-23)24-16-14(9-22-24)15(19)20-10-21-16/h1-4,9-10,12H,5-8H2,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452675
(CHEMBL4211713)Show SMILES Cc1nc(N)c2cnn(C3CCN(Cc4ccc(cc4)S(F)(=O)=O)CC3)c2n1 Show InChI InChI=1S/C18H21FN6O2S/c1-12-22-17(20)16-10-21-25(18(16)23-12)14-6-8-24(9-7-14)11-13-2-4-15(5-3-13)28(19,26)27/h2-5,10,14H,6-9,11H2,1H3,(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50304912
((((((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 |r| 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+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50452681
(CHEMBL4209693)Show SMILES Nc1ncnc2n(cnc12)C1CCN(CC1)C(=O)c1ccc(cc1)S(F)(=O)=O Show InChI InChI=1S/C17H17FN6O3S/c18-28(26,27)13-3-1-11(2-4-13)17(25)23-7-5-12(6-8-23)24-10-22-14-15(19)20-9-21-16(14)24/h1-4,9-10,12H,5-8H2,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452678
(CHEMBL4211326)Show SMILES Nc1cc(OC2CN(C2)C(=O)c2ccc(cc2)S(F)(=O)=O)ccn1 Show InChI InChI=1S/C15H14FN3O4S/c16-24(21,22)13-3-1-10(2-4-13)15(20)19-8-12(9-19)23-11-5-6-18-14(17)7-11/h1-7,12H,8-9H2,(H2,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452682
(CHEMBL4210973)Show SMILES Cc1nc(N)c2ncn(C3CCN(Cc4ccc(cc4)S(F)(=O)=O)CC3)c2n1 Show InChI InChI=1S/C18H21FN6O2S/c1-12-22-17(20)16-18(23-12)25(11-21-16)14-6-8-24(9-7-14)10-13-2-4-15(5-3-13)28(19,26)27/h2-5,11,14H,6-10H2,1H3,(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452683
(CHEMBL4215512)Show SMILES Cc1nc(N)c2ncn(C3CCN(CC3)C(=O)c3ccc(cc3)S(F)(=O)=O)c2n1 Show InChI InChI=1S/C18H19FN6O3S/c1-11-22-16(20)15-17(23-11)25(10-21-15)13-6-8-24(9-7-13)18(26)12-2-4-14(5-3-12)29(19,27)28/h2-5,10,13H,6-9H2,1H3,(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50292495
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H16FN5O7S/c18-31(27,28)9-3-1-8(2-4-9)17(26)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,19,20,21)/t10-,12-,13-,16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452693
(CHEMBL4202426)Show SMILES Nc1ncnc2n(CCOC(=O)c3ccc(cc3)S(F)(=O)=O)cnc12 Show InChI InChI=1S/C14H12FN5O4S/c15-25(22,23)10-3-1-9(2-4-10)14(21)24-6-5-20-8-19-11-12(16)17-7-18-13(11)20/h1-4,7-8H,5-6H2,(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452692
(CHEMBL4204554)Show SMILES Cc1nc(N)cc(OC2CCN(CC2)C(=O)c2ccc(cc2)S(F)(=O)=O)n1 Show InChI InChI=1S/C17H19FN4O4S/c1-11-20-15(19)10-16(21-11)26-13-6-8-22(9-7-13)17(23)12-2-4-14(5-3-12)27(18,24)25/h2-5,10,13H,6-9H2,1H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452694
(CHEMBL4203961)Show SMILES Cc1nc(N)c2cnn(CCCNC(=O)c3ccc(cc3)S(F)(=O)=O)c2n1 Show InChI InChI=1S/C16H17FN6O3S/c1-10-21-14(18)13-9-20-23(15(13)22-10)8-2-7-19-16(24)11-3-5-12(6-4-11)27(17,25)26/h3-6,9H,2,7-8H2,1H3,(H,19,24)(H2,18,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452679
(CHEMBL4217046)Show SMILES Nc1ncnc2n(CCCNC(=O)c3ccc(cc3)S(F)(=O)=O)cnc12 Show InChI InChI=1S/C15H15FN6O3S/c16-26(24,25)11-4-2-10(3-5-11)15(23)18-6-1-7-22-9-21-12-13(17)19-8-20-14(12)22/h2-5,8-9H,1,6-7H2,(H,18,23)(H2,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452686
(CHEMBL4217363)Show SMILES Nc1cc(O[C@@H]2CCN(C2)C(=O)c2ccc(cc2)S(F)(=O)=O)ccn1 |r| Show InChI InChI=1S/C16H16FN3O4S/c17-25(22,23)14-3-1-11(2-4-14)16(21)20-8-6-13(10-20)24-12-5-7-19-15(18)9-12/h1-5,7,9,13H,6,8,10H2,(H2,18,19)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452697
(CHEMBL4204818)Show SMILES Cc1cc(OC2CCN(Cc3ccc(cc3)S(F)(=O)=O)CC2)cc(N)n1 Show InChI InChI=1S/C18H22FN3O3S/c1-13-10-16(11-18(20)21-13)25-15-6-8-22(9-7-15)12-14-2-4-17(5-3-14)26(19,23)24/h2-5,10-11,15H,6-9,12H2,1H3,(H2,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452689
(CHEMBL4217944)Show InChI InChI=1S/C14H16FN3O3S/c15-22(19,20)13-3-1-11(2-4-13)10-17-7-8-21-12-5-6-18-14(16)9-12/h1-6,9,17H,7-8,10H2,(H2,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452687
(CHEMBL4209678)Show SMILES Nc1cc(OC2CCN(CC2)C(=O)c2ccc(cc2)S(F)(=O)=O)ccn1 Show InChI InChI=1S/C17H18FN3O4S/c18-26(23,24)15-3-1-12(2-4-15)17(22)21-9-6-13(7-10-21)25-14-5-8-20-16(19)11-14/h1-5,8,11,13H,6-7,9-10H2,(H2,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452688
(CHEMBL4208943)Show InChI InChI=1S/C15H16FN3O4S/c16-24(21,22)13-4-2-11(3-5-13)15(20)19-7-1-9-23-12-6-8-18-14(17)10-12/h2-6,8,10H,1,7,9H2,(H2,17,18)(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452680
(CHEMBL4214117)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)S(F)(=O)=O |r| Show InChI InChI=1S/C17H17FN6O3S/c18-28(26,27)13-5-3-11(4-6-13)17(25)23-7-1-2-12(8-23)24-10-22-14-15(19)20-9-21-16(14)24/h3-6,9-10,12H,1-2,7-8H2,(H2,19,20,21)/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452685
(CHEMBL4214316)Show InChI InChI=1S/C14H14FN3O4S/c15-23(20,21)12-3-1-10(2-4-12)14(19)18-7-8-22-11-5-6-17-13(16)9-11/h1-6,9H,7-8H2,(H2,16,17)(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.27E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452695
(CHEMBL4207125)Show InChI InChI=1S/C15H18FN3O3S/c16-23(20,21)14-4-2-12(3-5-14)11-18-7-1-9-22-13-6-8-19-15(17)10-13/h2-6,8,10,18H,1,7,9,11H2,(H2,17,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452690
(CHEMBL4205857)Show SMILES Cc1nc(N)cc(OCCNC(=O)c2ccc(cc2)S(F)(=O)=O)n1 Show InChI InChI=1S/C14H15FN4O4S/c1-9-18-12(16)8-13(19-9)23-7-6-17-14(20)10-2-4-11(5-3-10)24(15,21)22/h2-5,8H,6-7H2,1H3,(H,17,20)(H2,16,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.86E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50452696
(CHEMBL4204524)Show InChI InChI=1S/C12H11FN2O3S/c13-19(16,17)11-3-1-9(2-4-11)8-18-10-5-6-15-12(14)7-10/h1-7H,8H2,(H2,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hawaii Biotech
Curated by ChEMBL
| Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay |
Bioorg Med Chem Lett 28: 134-139 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50479983
(Adefovir Diphosphate)Show SMILES Nc1ncnc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc12 Show InChI InChI=1S/C8H14N5O10P3/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-21-5-24(14,15)22-26(19,20)23-25(16,17)18/h3-4H,1-2,5H2,(H,14,15)(H,19,20)(H2,9,10,11)(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Bacillus anthracis edema factor by cell free assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113581 BindingDB Entry DOI: 10.7270/Q2RJ4P8B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50571754
(CHEMBL4853492)Show SMILES Nc1nc(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)c(s1)-c1cccc(OCc2ccccc2)c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Bacillus anthracis edema factor by cell free assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113581 BindingDB Entry DOI: 10.7270/Q2RJ4P8B |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50571756
(CHEMBL4855382)Show SMILES CC(C)Oc1ccc(cc1)-c1sc(N)nc1CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 428 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Bacillus anthracis edema factor by cell free assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113581 BindingDB Entry DOI: 10.7270/Q2RJ4P8B |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50571753
(CHEMBL4848421)Show SMILES CNC(=O)c1ccc(cc1)-c1sc(N)nc1CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 704 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Bacillus anthracis edema factor by cell free assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113581 BindingDB Entry DOI: 10.7270/Q2RJ4P8B |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50486025
(CHEMBL2203672)Show SMILES Nc1cc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)cc(c1)C(O)=O Show InChI InChI=1S/C21H14N2O4/c22-12-8-11(21(26)27)9-13(10-12)23-20(25)17-7-3-6-15-14-4-1-2-5-16(14)19(24)18(15)17/h1-10H,22H2,(H,23,25)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
UTMB
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 20: 368-76 (2012)
Article DOI: 10.1016/j.bmc.2011.10.091 BindingDB Entry DOI: 10.7270/Q2PK0K15 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50571757
(CHEMBL4858677)Show SMILES Nc1nc(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)c(s1)-c1cccc(F)c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Bacillus anthracis edema factor by cell free assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113581 BindingDB Entry DOI: 10.7270/Q2RJ4P8B |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50486023
(CHEMBL2203681)Show SMILES CN(C)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1 Show InChI InChI=1S/C22H18N2O2/c1-24(2)15-8-5-7-14(13-15)23-22(26)19-12-6-11-17-16-9-3-4-10-18(16)21(25)20(17)19/h3-13H,1-2H3,(H,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UTMB
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 20: 368-76 (2012)
Article DOI: 10.1016/j.bmc.2011.10.091 BindingDB Entry DOI: 10.7270/Q2PK0K15 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50262712
(3-[(9-oxo-9Hfluorene-1-carbonyl)-amino]-benzoic ac...)Show SMILES OC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1 Show InChI InChI=1S/C21H13NO4/c23-19-16-8-2-1-7-14(16)15-9-4-10-17(18(15)19)20(24)22-13-6-3-5-12(11-13)21(25)26/h1-11H,(H,22,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UTMB
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 20: 368-76 (2012)
Article DOI: 10.1016/j.bmc.2011.10.091 BindingDB Entry DOI: 10.7270/Q2PK0K15 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50262712
(3-[(9-oxo-9Hfluorene-1-carbonyl)-amino]-benzoic ac...)Show SMILES OC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1 Show InChI InChI=1S/C21H13NO4/c23-19-16-8-2-1-7-14(16)15-9-4-10-17(18(15)19)20(24)22-13-6-3-5-12(11-13)21(25)26/h1-11H,(H,22,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Medical Branch
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema factor-induced cytotoxicity in mouse RAW264.7 cells assessed as LDH release after 4 hrs |
Bioorg Med Chem 16: 7225-33 (2008)
Article DOI: 10.1016/j.bmc.2008.06.036 BindingDB Entry DOI: 10.7270/Q2R2116M |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50262713
(4-(3-methoxy-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclo...)Show SMILES COc1cccc(c1)[C@H]1Nc2ccc(cc2[C@@H]2C=CC[C@H]12)C(O)=O |r,c:19| Show InChI InChI=1S/C20H19NO3/c1-24-14-5-2-4-12(10-14)19-16-7-3-6-15(16)17-11-13(20(22)23)8-9-18(17)21-19/h2-6,8-11,15-16,19,21H,7H2,1H3,(H,22,23)/t15-,16+,19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Medical Branch
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema factor-induced cAMP secretion in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 16: 7225-33 (2008)
Article DOI: 10.1016/j.bmc.2008.06.036 BindingDB Entry DOI: 10.7270/Q2R2116M |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50262713
(4-(3-methoxy-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclo...)Show SMILES COc1cccc(c1)[C@H]1Nc2ccc(cc2[C@@H]2C=CC[C@H]12)C(O)=O |r,c:19| Show InChI InChI=1S/C20H19NO3/c1-24-14-5-2-4-12(10-14)19-16-7-3-6-15(16)17-11-13(20(22)23)8-9-18(17)21-19/h2-6,8-11,15-16,19,21H,7H2,1H3,(H,22,23)/t15-,16+,19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Medical Branch
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema factor-induced cytotoxicity in mouse RAW264.7 cells assessed as LDH release after 4 hrs |
Bioorg Med Chem 16: 7225-33 (2008)
Article DOI: 10.1016/j.bmc.2008.06.036 BindingDB Entry DOI: 10.7270/Q2R2116M |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50262712
(3-[(9-oxo-9Hfluorene-1-carbonyl)-amino]-benzoic ac...)Show SMILES OC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1 Show InChI InChI=1S/C21H13NO4/c23-19-16-8-2-1-7-14(16)15-9-4-10-17(18(15)19)20(24)22-13-6-3-5-12(11-13)21(25)26/h1-11H,(H,22,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Medical Branch
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema factor-induced cAMP secretion in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 16: 7225-33 (2008)
Article DOI: 10.1016/j.bmc.2008.06.036 BindingDB Entry DOI: 10.7270/Q2R2116M |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50486008
(CHEMBL2203684)Show SMILES NC(=N)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1 Show InChI InChI=1S/C21H15N3O2/c22-20(23)12-5-3-6-13(11-12)24-21(26)17-10-4-9-15-14-7-1-2-8-16(14)19(25)18(15)17/h1-11H,(H3,22,23)(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UTMB
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 20: 368-76 (2012)
Article DOI: 10.1016/j.bmc.2011.10.091 BindingDB Entry DOI: 10.7270/Q2PK0K15 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50486009
(CHEMBL2203682)Show SMILES Fc1ccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)cc1Cl Show InChI InChI=1S/C20H11ClFNO2/c21-16-10-11(8-9-17(16)22)23-20(25)15-7-3-6-13-12-4-1-2-5-14(12)19(24)18(13)15/h1-10H,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UTMB
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 20: 368-76 (2012)
Article DOI: 10.1016/j.bmc.2011.10.091 BindingDB Entry DOI: 10.7270/Q2PK0K15 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50571758
(CHEMBL4852011)Show SMILES CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(=O)OP(O)(=O)OP(O)(O)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Bacillus anthracis edema factor by cell free assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113581 BindingDB Entry DOI: 10.7270/Q2RJ4P8B |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50486021
(CHEMBL2203670)Show SMILES OC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1O Show InChI InChI=1S/C21H13NO5/c23-18-15(21(26)27)9-4-10-16(18)22-20(25)14-8-3-7-12-11-5-1-2-6-13(11)19(24)17(12)14/h1-10,23H,(H,22,25)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UTMB
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 20: 368-76 (2012)
Article DOI: 10.1016/j.bmc.2011.10.091 BindingDB Entry DOI: 10.7270/Q2PK0K15 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50486014
(CHEMBL2203673)Show SMILES COc1ccc(cc1NC(=O)c1cccc2-c3ccccc3C(=O)c12)C(O)=O Show InChI InChI=1S/C22H15NO5/c1-28-18-10-9-12(22(26)27)11-17(18)23-21(25)16-8-4-7-14-13-5-2-3-6-15(13)20(24)19(14)16/h2-11H,1H3,(H,23,25)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UTMB
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 20: 368-76 (2012)
Article DOI: 10.1016/j.bmc.2011.10.091 BindingDB Entry DOI: 10.7270/Q2PK0K15 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50486016
(CHEMBL2203669)Show SMILES Nc1ccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)cc1C(O)=O Show InChI InChI=1S/C21H14N2O4/c22-17-9-8-11(10-16(17)21(26)27)23-20(25)15-7-3-6-13-12-4-1-2-5-14(12)19(24)18(13)15/h1-10H,22H2,(H,23,25)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UTMB
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 20: 368-76 (2012)
Article DOI: 10.1016/j.bmc.2011.10.091 BindingDB Entry DOI: 10.7270/Q2PK0K15 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50486015
(CHEMBL2203671)Show SMILES OC(=O)c1cc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)ccc1O Show InChI InChI=1S/C21H13NO5/c23-17-9-8-11(10-16(17)21(26)27)22-20(25)15-7-3-6-13-12-4-1-2-5-14(12)19(24)18(13)15/h1-10,23H,(H,22,25)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UTMB
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 20: 368-76 (2012)
Article DOI: 10.1016/j.bmc.2011.10.091 BindingDB Entry DOI: 10.7270/Q2PK0K15 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50486020
(CHEMBL2203680)Show SMILES FC(F)(F)Oc1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1 Show InChI InChI=1S/C21H12F3NO3/c22-21(23,24)28-13-6-3-5-12(11-13)25-20(27)17-10-4-9-15-14-7-1-2-8-16(14)19(26)18(15)17/h1-11H,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UTMB
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 20: 368-76 (2012)
Article DOI: 10.1016/j.bmc.2011.10.091 BindingDB Entry DOI: 10.7270/Q2PK0K15 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50486011
(CHEMBL2203678)Show SMILES COC(=O)c1ccc(OC)c(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1 Show InChI InChI=1S/C23H17NO5/c1-28-19-11-10-13(23(27)29-2)12-18(19)24-22(26)17-9-5-8-15-14-6-3-4-7-16(14)21(25)20(15)17/h3-12H,1-2H3,(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UTMB
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 20: 368-76 (2012)
Article DOI: 10.1016/j.bmc.2011.10.091 BindingDB Entry DOI: 10.7270/Q2PK0K15 |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50571755
(CHEMBL4852594)Show SMILES Nc1nc(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)c(s1)-c1ccccc1OCc1ccccc1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Bacillus anthracis edema factor by cell free assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113581 BindingDB Entry DOI: 10.7270/Q2RJ4P8B |
More data for this Ligand-Target Pair | |
Calmodulin-sensitive adenylate cyclase
(Bacillus anthracis) | BDBM50262711
(4-[(anthracen-9-ylmethylene)-amino]-2-hydroxy-benz...)Show InChI InChI=1S/C22H15NO3/c24-21-12-16(9-10-19(21)22(25)26)23-13-20-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)20/h1-13,24H,(H,25,26)/b23-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Medical Branch
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis edema factor-induced cAMP secretion in mouse RAW264.7 cells after 4 hrs by ELISA |
Bioorg Med Chem 16: 7225-33 (2008)
Article DOI: 10.1016/j.bmc.2008.06.036 BindingDB Entry DOI: 10.7270/Q2R2116M |
More data for this Ligand-Target Pair | |