Compile Data Set for Download or QSAR

Found 7 hits of ic50 data for polymerid = 2815   

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
ATP phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM25314 (2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(1...) Show SMILES O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)Nc1nccs1 Show InChI InChI=1S/C20H15N5OS2/c26-16(22-19-21-11-12-27-19)13-28-20-23-17(14-7-3-1-4-8-14)18(24-25-20)15-9-5-2-6-10-15/h1-12H,13H2,(H,21,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	8.5	22
Yale University					Assay Description Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...				J Med Chem 51: 5984-92 (2008) Article DOI: 10.1021/jm800328v BindingDB Entry DOI: 10.7270/Q2V986CX
					More data for this Ligand-Target Pair
ATP phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM25322 (2-bromo-3,5-dinitro-N-[(phenylcarbamoyl)amino]benz...) Show SMILES [O-][N+](=O)c1cc(C(=O)NNC(=O)Nc2ccccc2)c(Br)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H10BrN5O6/c15-12-10(6-9(19(23)24)7-11(12)20(25)26)13(21)17-18-14(22)16-8-4-2-1-3-5-8/h1-7H,(H,17,21)(H2,16,18,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	8.5	22
Yale University					Assay Description Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...				J Med Chem 51: 5984-92 (2008) Article DOI: 10.1021/jm800328v BindingDB Entry DOI: 10.7270/Q2V986CX
					More data for this Ligand-Target Pair
ATP phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM25316 (ChemBridge nitrobenzothiazole, 6 | N-(6-nitro-1,3-...) Show SMILES [O-][N+](=O)c1ccc2nc(NC(=O)CC(NC(=O)c3ccccc3)c3ccccc3)sc2c1 Show InChI InChI=1S/C23H18N4O4S/c28-21(26-23-25-18-12-11-17(27(30)31)13-20(18)32-23)14-19(15-7-3-1-4-8-15)24-22(29)16-9-5-2-6-10-16/h1-13,19H,14H2,(H,24,29)(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	8.5	22
Yale University					Assay Description Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...				J Med Chem 51: 5984-92 (2008) Article DOI: 10.1021/jm800328v BindingDB Entry DOI: 10.7270/Q2V986CX
					More data for this Ligand-Target Pair
ATP phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM25317 (3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diaze...) Show SMILES Oc1cc(c2cc(ccc2c1N=Nc1ccc2ccccc2c1O)[N+]([O-])=O)S(O)(=O)=O |w:12.14| Show InChI InChI=1S/C20H13N3O7S/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25/h1-10,24-25H,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	8.5	22
Yale University					Assay Description Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...				J Med Chem 51: 5984-92 (2008) Article DOI: 10.1021/jm800328v BindingDB Entry DOI: 10.7270/Q2V986CX
					More data for this Ligand-Target Pair
ATP phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM25318 ((4-methoxyphenyl)methyl 2-methyl-5-oxo-4,7-bis(thi...) Show SMILES COc1ccc(COC(=O)C2=C(C)N=C3CC(CC(=O)C3C2c2cccs2)c2cccs2)cc1 |c:10,t:13| Show InChI InChI=1S/C27H25NO4S2/c1-16-24(27(30)32-15-17-7-9-19(31-2)10-8-17)26(23-6-4-12-34-23)25-20(28-16)13-18(14-21(25)29)22-5-3-11-33-22/h3-12,18,25-26H,13-15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	8.5	22
Yale University					Assay Description Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...				J Med Chem 51: 5984-92 (2008) Article DOI: 10.1021/jm800328v BindingDB Entry DOI: 10.7270/Q2V986CX
					More data for this Ligand-Target Pair
ATP phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM25323 (2-({7-[(3-hydroxyphenyl)amino]-4-nitro-2,1,3-benzo...) Show SMILES Oc1cccc(Nc2cc(Nc3ccc(cc3O)[N+]([O-])=O)c([N+]([O-])=O)c3nonc23)c1 Show InChI InChI=1S/C18H12N6O7/c25-11-3-1-2-9(6-11)19-13-8-14(18(24(29)30)17-16(13)21-31-22-17)20-12-5-4-10(23(27)28)7-15(12)26/h1-8,19-20,25-26H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	8.5	22
Yale University					Assay Description Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...				J Med Chem 51: 5984-92 (2008) Article DOI: 10.1021/jm800328v BindingDB Entry DOI: 10.7270/Q2V986CX
					More data for this Ligand-Target Pair
ATP phosphoribosyltransferase (Mycobacterium tuberculosis)	BDBM25324 (ChemBridge nitrobenzothiazole, 19 | ethyl 0-[(6-ni...) Show SMILES CCOC(=O)C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O Show InChI InChI=1S/C11H9N3O5S/c1-2-19-10(16)9(15)13-11-12-7-4-3-6(14(17)18)5-8(7)20-11/h3-5H,2H2,1H3,(H,12,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	8.5	22
Yale University					Assay Description Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...				J Med Chem 51: 5984-92 (2008) Article DOI: 10.1021/jm800328v BindingDB Entry DOI: 10.7270/Q2V986CX
					More data for this Ligand-Target Pair