Compile Data Set for Download or QSAR

Found 16 hits of ic50 data for polymerid = 3978   

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
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31965 (carbohydrazide derivative, 5h) Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O |w:15.17| Show InChI InChI=1S/C18H12Br2N2O4/c19-13-6-11(16(24)15(20)17(13)25)8-21-22-18(26)12-5-9-3-1-2-4-10(9)7-14(12)23/h1-8,23-25H,(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31930 (carbohydrazide derivative, 3m) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ccccc3c2)c(O)c1Br Show InChI InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	8.0	25
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31927 (carbohydrazide derivative, 3j) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(Br)cc2)c(O)c1Br Show InChI InChI=1S/C14H9Br3N2O3/c15-9-3-1-7(2-4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	8.0	25
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31934 (carbohydrazide derivative, 3q) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O Show InChI InChI=1S/C18H18Br2N2O3/c1-18(2,3)12-6-4-10(5-7-12)17(25)22-21-9-11-8-13(19)16(24)14(20)15(11)23/h4-9,23-24H,1-3H3,(H,22,25)/b21-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	8.0	25
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31926 (carbohydrazide derivative, 3i) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(Cl)cc2)c(O)c1Br Show InChI InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	8.0	25
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31964 (carbohydrazide derivative, 5g) Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc3ccccc3c2O)c(O)c1Br |w:6.5| Show InChI InChI=1S/C18H12Br2N2O4/c19-13-7-10(15(23)14(20)17(13)25)8-21-22-18(26)12-6-5-9-3-1-2-4-11(9)16(12)24/h1-8,23-25H,(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31928 (carbohydrazide derivative, 3k) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2cccc(Br)c2)c(O)c1Br Show InChI InChI=1S/C14H9Br3N2O3/c15-9-3-1-2-7(4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	8.0	25
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31960 (carbohydrazide derivative, 5c) Show SMILES Oc1c(Br)cc(C=NNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(O)c1Br |w:6.5| Show InChI InChI=1S/C16H8Br2F6N2O3/c17-10-3-7(12(27)11(18)13(10)28)5-25-26-14(29)6-1-8(15(19,20)21)4-9(2-6)16(22,23)24/h1-5,27-28H,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31967 (carbohydrazide derivative, 5j) Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc3cc(Br)ccc3c2)c(O)c1Br |w:6.5| Show InChI InChI=1S/C18H11Br3N2O3/c19-13-4-3-9-5-11(2-1-10(9)6-13)18(26)23-22-8-12-7-14(20)17(25)15(21)16(12)24/h1-8,24-25H,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31963 (carbohydrazide derivative, 5f) Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br |w:6.5| Show InChI InChI=1S/C21H14Br2N2O3/c22-17-9-14(19(26)18(23)20(17)27)10-24-25-21(28)12-5-6-16-13(8-12)7-11-3-1-2-4-15(11)16/h1-6,8-10,26-27H,7H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31925 (carbohydrazide derivative, 3h) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(F)cc2)c(O)c1Br Show InChI InChI=1S/C14H9Br2FN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.43E+3	n/a	n/a	n/a	n/a	8.0	25
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31966 (carbohydrazide derivative, 5i) Show SMILES Oc1ccc2cc(ccc2c1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O |w:15.17| Show InChI InChI=1S/C18H12Br2N2O4/c19-14-7-12(16(24)15(20)17(14)25)8-21-22-18(26)11-2-1-10-6-13(23)4-3-9(10)5-11/h1-8,23-25H,(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31931 (carbohydrazide derivative, 3n) Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O Show InChI InChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.92E+3	n/a	n/a	n/a	n/a	8.0	25
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31961 (carbohydrazide derivative, 5d) Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc(Oc3ccccc3)cc2)c(O)c1Br |w:6.5| Show InChI InChI=1S/C20H14Br2N2O4/c21-16-10-13(18(25)17(22)19(16)26)11-23-24-20(27)12-6-8-15(9-7-12)28-14-4-2-1-3-5-14/h1-11,25-26H,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31917 (carbohydrazide derivative, 1) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2cccnc2)c(O)c1Br Show InChI InChI=1S/C13H9Br2N3O3/c14-9-4-8(11(19)10(15)12(9)20)6-17-18-13(21)7-2-1-3-16-5-7/h1-6,19-20H,(H,18,21)/b17-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	8.0	25
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31959 (carbohydrazide derivative, 5b) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O |w:17.19| Show InChI InChI=1S/C20H14Br2N2O4/c21-16-9-14(18(26)17(22)19(16)27)10-23-24-20(28)13-3-1-11(2-4-13)12-5-7-15(25)8-6-12/h1-10,25-27H,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair