Compile Data Set for Download or QSAR

Found 27 hits of ki data for polymerid = 50003911   

Target/Host (Institution)	Ligand	Target/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	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 SMILES Nc1cc(OCCNCc2ccc(cc2)S(F)(=O)=O)ccn1 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 SMILES Nc1cc(OCCCNC(=O)c2ccc(cc2)S(F)(=O)=O)ccn1 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 SMILES Nc1cc(OCCNC(=O)c2ccc(cc2)S(F)(=O)=O)ccn1 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 SMILES Nc1cc(OCCCNCc2ccc(cc2)S(F)(=O)=O)ccn1 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 SMILES Nc1cc(OCc2ccc(cc2)S(F)(=O)=O)ccn1 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