Compile Data Set for Download or QSAR

Found 19 hits of ic50 data for polymerid = 9708   

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
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM50083940 (4-(3-Chloro-phenyl)-2-hydroxy-4-oxo-but-2-enoic ac...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C10H7ClO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	D3R	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM50174491 ((Z)-2-Hydroxy-4-oxo-4-m-tolyl-but-2-enoic acid | C...) Show SMILES Cc1cccc(c1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C11H10O4/c1-7-3-2-4-8(5-7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	D3R	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM50152579 (4-(2-Fluoro-phenyl)-2,4-dioxo-butyric acid | CHEMB...) Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1F Show InChI InChI=1S/C10H7FO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	D3R	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM50152554 (4-(2-Chloro-phenyl)-2,4-dioxo-butyric acid | CHEMB...) Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1Cl Show InChI InChI=1S/C10H7ClO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	D3R	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM225389 (Sacchettini_4) Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1Br Show InChI InChI=1S/C10H7BrO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM50083953 ((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1 Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB D3R	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM50152575 (2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...) Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB D3R	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM50115579 ((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1 Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB D3R	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM225391 (Sacchettini_10) Show SMILES OC(=O)C(=O)CC(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C10H6ClFO4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	D3R	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM225392 (Sacchettini_11) Show SMILES Cc1ccc(F)c(C(=O)CC(=O)C(O)=O)c1Cl Show InChI InChI=1S/C11H8ClFO4/c1-5-2-3-6(13)9(10(5)12)7(14)4-8(15)11(16)17/h2-3H,4H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM225390 (Sacchettini_9) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-6(2-4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	D3R	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM50137853 (2,4-Dioxo-4-p-tolyl-butyric acid | 2,4-dioxo-4-p-t...) Show SMILES Cc1ccc(cc1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C11H10O4/c1-7-2-4-8(5-3-7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	D3R	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM225393 (Sacchettini_20) Show SMILES CC(C)c1ccccc1C(=O)\C=C(/O)C(O)=O Show InChI InChI=1S/C13H14O4/c1-8(2)9-5-3-4-6-10(9)11(14)7-12(15)13(16)17/h3-8,15H,1-2H3,(H,16,17)/b12-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM225394 (Sacchettini_21) Show SMILES Cc1ccc(Cc2ccccc2)cc1C(=O)\C=C(/O)C(O)=O Show InChI InChI=1S/C18H16O4/c1-12-7-8-14(9-13-5-3-2-4-6-13)10-15(12)16(19)11-17(20)18(21)22/h2-8,10-11,20H,9H2,1H3,(H,21,22)/b17-11-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM225395 (Sacchettini_22) Show SMILES Cc1c(\C=C\c2ccccc2)cccc1C(=O)\C=C(/O)C(O)=O Show InChI InChI=1S/C19H16O4/c1-13-15(11-10-14-6-3-2-4-7-14)8-5-9-16(13)17(20)12-18(21)19(22)23/h2-12,21H,1H3,(H,22,23)/b11-10+,18-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM225396 (Sacchettini_23) Show SMILES COc1cccc(NC(=O)\C=C(/O)C(O)=O)c1 Show InChI InChI=1S/C11H11NO5/c1-17-8-4-2-3-7(5-8)12-10(14)6-9(13)11(15)16/h2-6,13H,1H3,(H,12,14)(H,15,16)/b9-6-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM225397 (Sacchettini_24) Show SMILES OC(=O)C(=O)CC(=O)c1c(F)cc(F)cc1F Show InChI InChI=1S/C10H5F3O4/c11-4-1-5(12)9(6(13)2-4)7(14)3-8(15)10(16)17/h1-2H,3H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	D3R	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM225398 (Sacchettini_25) Show SMILES OC(=O)C(O)=CC(=O)c1nccs1 |w:5.5| Show InChI InChI=1S/C7H5NO4S/c9-4(3-5(10)7(11)12)6-8-1-2-13-6/h1-3,10H,(H,11,12)/b5-3-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM225399 (Sacchettini_26) Show SMILES OC(=O)C(O)=CC(=O)c1ccccn1 |w:5.5| Show InChI InChI=1S/C9H7NO4/c11-7(5-8(12)9(13)14)6-3-1-2-4-10-6/h1-5,12H,(H,13,14)/b8-5-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	D3R	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair