Compile Data Set for Download or QSAR

Found 135 hits of ec50 data for polymerid = 50003485   

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
Lethal factor (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Hawaii Biotech Curated by ChEMBL					Assay Description Inactivation of Bacillus anthracis edema factor in mouse RAW264.7 cells assessed as reduction in cAMP production using cells exposed to edema factor ...				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
Lethal factor (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Hawaii Biotech Curated by ChEMBL					Assay Description Inactivation of Bacillus anthracis edema factor in mouse RAW264.7 cells assessed as reduction in cAMP production using cells exposed to edema factor ...				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
Lethal factor (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Hawaii Biotech Curated by ChEMBL					Assay Description Inactivation of Bacillus anthracis edema factor in mouse RAW264.7 cells assessed as reduction in cAMP production using cells exposed to edema factor ...				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
Lethal factor (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Hawaii Biotech Curated by ChEMBL					Assay Description Inactivation of Bacillus anthracis edema factor in mouse RAW264.7 cells assessed as reduction in cAMP production using cells exposed to edema factor ...				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
Lethal factor (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	105	n/a	n/a	n/a	n/a
Hawaii Biotech Curated by ChEMBL					Assay Description Inactivation of Bacillus anthracis edema factor in mouse RAW264.7 cells assessed as reduction in cAMP production using cells exposed to edema factor ...				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
Lethal factor (Bacillus anthracis)	BDBM88708 ((3Z,5Z)-3,5-bis[4-(dimethylamino)benzylidene]-1,1-...) Show SMILES CN(C)c1ccc(\C=C2\C[N+](C)(C)C\C(=C\c3ccc(cc3)N(C)C)C2=O)cc1 Show InChI InChI=1S/C25H32N3O/c1-26(2)23-11-7-19(8-12-23)15-21-17-28(5,6)18-22(25(21)29)16-20-9-13-24(14-10-20)27(3)4/h7-16H,17-18H2,1-6H3/q+1/b21-15-,22-16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM88693 (MLS000101690 | N-[2-(2-methyl-1-indolyl)ethyl]-2-p...) Show SMILES Cc1cc2ccccc2n1CCNC(=O)COc1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-15-13-16-7-5-6-10-18(16)21(15)12-11-20-19(22)14-23-17-8-3-2-4-9-17/h2-10,13H,11-12,14H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM44521 (2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine | MLS...) Show SMILES c1c(nc2nc(-c3ccccc3)c(nn12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H16N4/c1-4-10-17(11-5-1)20-16-27-23(24-20)25-21(18-12-6-2-7-13-18)22(26-27)19-14-8-3-9-15-19/h1-16H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2668BRK
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM1715 (cid_1299052) Show SMILES O=C(NC1CC1)Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1 Show InChI InChI=1S/C20H16N4OS2/c25-20(21-12-5-6-12)22-13-7-8-14-15(11-13)24-19(17-4-2-10-27-17)18(23-14)16-3-1-9-26-16/h1-4,7-12H,5-6H2,(H2,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2668BRK
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM91564 (6-(4-chlorophenyl)-2,3-diphenyl-imidazo[1,2-b][1,2...) Show SMILES Clc1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4/c24-19-13-11-16(12-14-19)20-15-28-23(25-20)26-21(17-7-3-1-4-8-17)22(27-28)18-9-5-2-6-10-18/h1-15H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2668BRK
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM51235 (2,3-Diphenyl-6-p-tolyl-imidazo[1,2-b][1,2,4]triazi...) Show SMILES Cc1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C24H18N4/c1-17-12-14-18(15-13-17)21-16-28-24(25-21)26-22(19-8-4-2-5-9-19)23(27-28)20-10-6-3-7-11-20/h2-16H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2668BRK
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM91569 (6-(4-methoxyphenyl)-2,3-diphenyl-imidazo[1,2-b][1,...) Show SMILES COc1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C24H18N4O/c1-29-20-14-12-17(13-15-20)21-16-28-24(25-21)26-22(18-8-4-2-5-9-18)23(27-28)19-10-6-3-7-11-19/h2-16H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2668BRK
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM91547 (N-(2,3-dithiophen-2-yl-6-quinoxalinyl)-1-piperidin...) Show SMILES O=C(Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1)N1CCCCC1 Show InChI InChI=1S/C22H20N4OS2/c27-22(26-10-2-1-3-11-26)23-15-8-9-16-17(14-15)25-21(19-7-5-13-29-19)20(24-16)18-6-4-12-28-18/h4-9,12-14H,1-3,10-11H2,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2668BRK
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM38452 (MLS000050299 | N-(2,3-di-2-thienyl-6-quinoxalinyl)...) Show SMILES O=C(Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1)N1CCOCC1 Show InChI InChI=1S/C21H18N4O2S2/c26-21(25-7-9-27-10-8-25)22-14-5-6-15-16(13-14)24-20(18-4-2-12-29-18)19(23-15)17-3-1-11-28-17/h1-6,11-13H,7-10H2,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2668BRK
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM72525 (1-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-...) Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1nc(C)c(s1)C(C)=O)c1cccs1 |c:13| Show InChI InChI=1S/C21H21N3O3S2/c1-12-20(13(2)25)29-21(22-12)24-16(11-15(23-24)19-6-5-9-28-19)14-7-8-17(26-3)18(10-14)27-4/h5-10,16H,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2668BRK
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM88710 (MLS003314990 | SMR001994656 | cid_51360688) Show SMILES [H]C12CCC([H])(C1)c1c2cc(-c2ccc(F)nc2)c2ccn(C)c12 |TLB:23:7:6:3.2,THB:9:8:6:3.2| Show InChI InChI=1S/C19H17FN2/c1-22-7-6-14-15(13-4-5-17(20)21-10-13)9-16-11-2-3-12(8-11)18(16)19(14)22/h4-7,9-12H,2-3,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM74437 (5-bromo-3-pyridinecarboxylic acid [2-(1-adamantyla...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)COC(=O)c1cncc(Br)c1 |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:3:9:1.11.8| Show InChI InChI=1S/C18H21BrN2O3/c19-15-4-14(8-20-9-15)17(23)24-10-16(22)21-18-5-11-1-12(6-18)3-13(2-11)7-18/h4,8-9,11-13H,1-3,5-7,10H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM1775 (cid_12006136) Show SMILES CCOCCSc1nc2\C(CCc2c(-c2cccs2)c1C#N)=C/c1cccs1 Show InChI InChI=1S/C22H20N2OS3/c1-2-25-9-12-28-22-18(14-23)20(19-6-4-11-27-19)17-8-7-15(21(17)24-22)13-16-5-3-10-26-16/h3-6,10-11,13H,2,7-9,12H2,1H3/b15-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM88711 (3-(2-bromophenyl)-1-[1-(5,6-dimethyl-1H-benzimidaz...) Show SMILES CCCCCCCCC(c1nc2cc(C)c(C)cc2[nH]1)n1c2ccccc2nc(-c2ccccc2Br)c1=O Show InChI InChI=1S/C32H35BrN4O/c1-4-5-6-7-8-9-18-29(31-35-26-19-21(2)22(3)20-27(26)36-31)37-28-17-13-12-16-25(28)34-30(32(37)38)23-14-10-11-15-24(23)33/h10-17,19-20,29H,4-9,18H2,1-3H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM62820 (2-methyl-N-[2-(2-methyl-1-indolyl)ethyl]propanamid...) Show SMILES CC(C)C(=O)NCCn1c(C)cc2ccccc12 Show InChI InChI=1S/C15H20N2O/c1-11(2)15(18)16-8-9-17-12(3)10-13-6-4-5-7-14(13)17/h4-7,10-11H,8-9H2,1-3H3,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM38452 (MLS000050299 | N-(2,3-di-2-thienyl-6-quinoxalinyl)...) Show SMILES O=C(Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1)N1CCOCC1 Show InChI InChI=1S/C21H18N4O2S2/c26-21(25-7-9-27-10-8-25)22-14-5-6-15-16(13-14)24-20(18-4-2-12-29-18)19(23-15)17-3-1-11-28-17/h1-6,11-13H,7-10H2,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM1712 (cid_9549736) Show SMILES CSc1nnc2n(nc(C)c2n1)-c1cccc(C)c1 Show InChI InChI=1S/C13H13N5S/c1-8-5-4-6-10(7-8)18-12-11(9(2)17-18)14-13(19-3)16-15-12/h4-7H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50876 ((3Z)-3-phenacylidene-1-phenyl-4H-quinoxalin-2-one ...) Show SMILES O=C(Cc1nc2ccccc2n(-c2ccccc2)c1=O)c1ccccc1 Show InChI InChI=1S/C22H16N2O2/c25-21(16-9-3-1-4-10-16)15-19-22(26)24(17-11-5-2-6-12-17)20-14-8-7-13-18(20)23-19/h1-14H,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM1715 (cid_1299052) Show SMILES O=C(NC1CC1)Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1 Show InChI InChI=1S/C20H16N4OS2/c25-20(21-12-5-6-12)22-13-7-8-14-15(11-13)24-19(17-4-2-10-27-17)18(23-14)16-3-1-9-26-16/h1-4,7-12H,5-6H2,(H2,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM44497 (6-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,4-diphe...) Show SMILES CCSc1nnc(o1)-c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N Show InChI InChI=1S/C22H17N5OS2/c1-2-29-22-27-25-20(28-22)19-17(23)16-15(13-9-5-3-6-10-13)18(24-26-21(16)30-19)14-11-7-4-8-12-14/h3-12H,2,23H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM44521 (2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine | MLS...) Show SMILES c1c(nc2nc(-c3ccccc3)c(nn12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H16N4/c1-4-10-17(11-5-1)20-16-27-23(24-20)25-21(18-12-6-2-7-13-18)22(26-27)19-14-8-3-9-15-19/h1-16H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM1718 (cid_1829912) Show SMILES COc1ccc(OC)c(c1)-c1nc2cc3ccccc3cc2nc1-c1ccccc1 Show InChI InChI=1S/C26H20N2O2/c1-29-20-12-13-24(30-2)21(16-20)26-25(17-8-4-3-5-9-17)27-22-14-18-10-6-7-11-19(18)15-23(22)28-26/h3-16H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50999 (3-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-5-phenyl...) Show SMILES CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:5| Show InChI InChI=1S/C17H16N2O4S/c1-24(20,21)19-15(10-14(18-19)12-5-3-2-4-6-12)13-7-8-16-17(9-13)23-11-22-16/h2-9,15H,10-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM1735 (cid_6166749) Show SMILES Cn1c2ccccc2nc(\C=C\c2ccccc2)c1=O Show InChI InChI=1S/C17H14N2O/c1-19-16-10-6-5-9-14(16)18-15(17(19)20)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM1775 (cid_12006136) Show SMILES CCOCCSc1nc2\C(CCc2c(-c2cccs2)c1C#N)=C/c1cccs1 Show InChI InChI=1S/C22H20N2OS3/c1-2-25-9-12-28-22-18(14-23)20(19-6-4-11-27-19)17-8-7-15(21(17)24-22)13-16-5-3-10-26-16/h3-6,10-11,13H,2,7-9,12H2,1H3/b15-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50282 (MLS000418506 | N-(2-phenazinyl)benzamide | N-phena...) Show SMILES O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1 Show InChI InChI=1S/C19H13N3O/c23-19(13-6-2-1-3-7-13)20-14-10-11-17-18(12-14)22-16-9-5-4-8-15(16)21-17/h1-12H,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM1795 (cid_4092145) Show SMILES CCS(=O)(=O)N1N=C(CC1c1ccccc1)c1cccc(NS(C)(=O)=O)c1 |c:6| Show InChI InChI=1S/C18H21N3O4S2/c1-3-27(24,25)21-18(14-8-5-4-6-9-14)13-17(19-21)15-10-7-11-16(12-15)20-26(2,22)23/h4-12,18,20H,3,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM3588 (cid_2817441) Show SMILES Clc1c2oc3ccccc3nc2c2ccccc2c1=O Show InChI InChI=1S/C16H8ClNO2/c17-13-15(19)10-6-2-1-5-9(10)14-16(13)20-12-8-4-3-7-11(12)18-14/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM72525 (1-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-...) Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1nc(C)c(s1)C(C)=O)c1cccs1 |c:13| Show InChI InChI=1S/C21H21N3O3S2/c1-12-20(13(2)25)29-21(22-12)24-16(11-15(23-24)19-6-5-9-28-19)14-7-8-17(26-3)18(10-14)27-4/h5-10,16H,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM51248 (6-(3-Nitro-phenyl)-2,3-diphenyl-imidazo[1,2-b][1,2...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C23H15N5O2/c29-28(30)19-13-7-12-18(14-19)20-15-27-23(24-20)25-21(16-8-3-1-4-9-16)22(26-27)17-10-5-2-6-11-17/h1-15H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM72686 (3-(1H-benzimidazol-2-ylamino)-1-isoindolone | 3-(1...) Show SMILES O=C1N=C(Nc2nc3ccccc3[nH]2)c2ccccc12 |t:2| Show InChI InChI=1S/C15H10N4O/c20-14-10-6-2-1-5-9(10)13(18-14)19-15-16-11-7-3-4-8-12(11)17-15/h1-8H,(H2,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM31372 (3-(2-furanyl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihyd...) Show SMILES [O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:10| Show InChI InChI=1S/C19H15N3O3/c23-22(24)16-10-8-14(9-11-16)17-13-18(19-7-4-12-25-19)21(20-17)15-5-2-1-3-6-15/h1-12,18H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM61118 (1-(2-Methoxy-phenyl)-3-(4-nitro-phenyl)-5-phenyl-4...) Show SMILES COc1ccccc1[N+]1=N[C-](CC1c1ccccc1)c1ccc(cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C22H19N3O3/c1-28-22-10-6-5-9-20(22)24-21(17-7-3-2-4-8-17)15-19(23-24)16-11-13-18(14-12-16)25(26)27/h2-14,21H,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM3645 (cid_3095057) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C11H7N5O7/c17-9(13-8-4-12-11(19)14-10(8)18)5-1-6(15(20)21)3-7(2-5)16(22)23/h1-4H,(H,13,17)(H2,12,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM53136 ((9-amino-7-ethoxy-acridin-3-yl)-p-anisyl-amine | 7...) Show SMILES CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1 Show InChI InChI=1S/C23H23N3O2/c1-3-28-18-9-11-21-20(13-18)23(24)19-10-6-16(12-22(19)26-21)25-14-15-4-7-17(27-2)8-5-15/h4-13,25H,3,14H2,1-2H3,(H2,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM72525 (1-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-...) Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1nc(C)c(s1)C(C)=O)c1cccs1 |c:13| Show InChI InChI=1S/C21H21N3O3S2/c1-12-20(13(2)25)29-21(22-12)24-16(11-15(23-24)19-6-5-9-28-19)14-7-8-17(26-3)18(10-14)27-4/h5-10,16H,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2W37TXD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM38452 (MLS000050299 | N-(2,3-di-2-thienyl-6-quinoxalinyl)...) Show SMILES O=C(Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1)N1CCOCC1 Show InChI InChI=1S/C21H18N4O2S2/c26-21(25-7-9-27-10-8-25)22-14-5-6-15-16(13-14)24-20(18-4-2-12-29-18)19(23-15)17-3-1-11-28-17/h1-6,11-13H,7-10H2,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM88692 (3-(2-chlorophenyl)-N-[(1,2-dimethyl-5-indolyl)meth...) Show SMILES Cc1cc2cc(CNC(=O)c3c(C)onc3-c3ccccc3Cl)ccc2n1C Show InChI InChI=1S/C22H20ClN3O2/c1-13-10-16-11-15(8-9-19(16)26(13)3)12-24-22(27)20-14(2)28-25-21(20)17-6-4-5-7-18(17)23/h4-11H,12H2,1-3H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM88694 (MLS000101696 | N-[2-(2-methyl-1-indolyl)ethyl]prop...) Show SMILES CCC(=O)NCCn1c(C)cc2ccccc12 Show InChI InChI=1S/C14H18N2O/c1-3-14(17)15-8-9-16-11(2)10-12-6-4-5-7-13(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM1712 (cid_9549736) Show SMILES CSc1nnc2n(nc(C)c2n1)-c1cccc(C)c1 Show InChI InChI=1S/C13H13N5S/c1-8-5-4-6-10(7-8)18-12-11(9(2)17-18)14-13(19-3)16-15-12/h4-7H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50876 ((3Z)-3-phenacylidene-1-phenyl-4H-quinoxalin-2-one ...) Show SMILES O=C(Cc1nc2ccccc2n(-c2ccccc2)c1=O)c1ccccc1 Show InChI InChI=1S/C22H16N2O2/c25-21(16-9-3-1-4-10-16)15-19-22(26)24(17-11-5-2-6-12-17)20-14-8-7-13-18(20)23-19/h1-14H,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM88695 (MLS000529691 | N-[(2-methyl-1H-indol-5-yl)methyl]-...) Show SMILES Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C22H25N3O3S/c1-16-13-19-14-17(5-10-21(19)24-16)15-23-22(26)18-6-8-20(9-7-18)29(27,28)25-11-3-2-4-12-25/h5-10,13-14,24H,2-4,11-12,15H2,1H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM88696 (MLS000529901 | N-[2-(2-methyl-1-indolyl)ethyl]-2-p...) Show SMILES Cc1cc2ccccc2n1CCNC(=O)Cc1ccccc1 Show InChI InChI=1S/C19H20N2O/c1-15-13-17-9-5-6-10-18(17)21(15)12-11-20-19(22)14-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM1715 (cid_1299052) Show SMILES O=C(NC1CC1)Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1 Show InChI InChI=1S/C20H16N4OS2/c25-20(21-12-5-6-12)22-13-7-8-14-15(11-13)24-19(17-4-2-10-27-17)18(23-14)16-3-1-9-26-16/h1-4,7-12H,5-6H2,(H2,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM87745 (MLS000529701 | N-[(1,2-dimethyl-5-indolyl)methyl]-...) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc2n(C)c(C)cc2c1 Show InChI InChI=1S/C20H23N3O3S/c1-14-11-17-12-15(5-10-19(17)23(14)4)13-21-20(24)16-6-8-18(9-7-16)27(25,26)22(2)3/h5-12H,13H2,1-4H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7
					More data for this Ligand-Target Pair

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