Compile Data Set for Download or QSAR

Found 15 hits of ic50 data for polymerid = 50001258,50002124   

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
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50116252 (2-[(3-Carboxy-3-{4-[(2,4-diamino-pteridin-6-ylmeth...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCP(O)(=O)OC(CCC(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C24H29N8O10P/c1-32(11-13-10-27-20-18(28-13)19(25)30-24(26)31-20)14-4-2-12(3-5-14)21(35)29-15(22(36)37)8-9-43(40,41)42-16(23(38)39)6-7-17(33)34/h2-5,10,15-16H,6-9,11H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H,38,39)(H,40,41)(H4,25,26,27,30,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit Folylpoly-gamma-glutamyl synthetase				Bioorg Med Chem Lett 12: 2189-92 (2002) BindingDB Entry DOI: 10.7270/Q21835TN
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50116250 (2-[(3-Carboxy-3-{4-[(2,4-diamino-pteridin-6-ylmeth...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C24H29N8O10P/c1-32(11-13-10-27-20-18(28-13)19(25)30-24(26)31-20)14-4-2-12(3-5-14)21(35)29-15(22(36)37)8-9-43(40,41)42-16(23(38)39)6-7-17(33)34/h2-5,10,15-16H,6-9,11H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H,38,39)(H,40,41)(H4,25,26,27,30,31)/t15-,16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit Folylpoly-gamma-glutamyl synthetase				Bioorg Med Chem Lett 12: 2189-92 (2002) BindingDB Entry DOI: 10.7270/Q21835TN
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Folyl-polyglutamate synthase from CCRF-CEM human leukemia cells.				J Med Chem 39: 4340-4 (1996) Article DOI: 10.1021/jm960250j BindingDB Entry DOI: 10.7270/Q2JH3K8H
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50116253 (2-{[3-Carboxy-3-(4-methylamino-benzoylamino)-propy...) Show SMILES CNc1ccc(cc1)C(=O)N[C@@H](CCP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C17H23N2O10P/c1-18-11-4-2-10(3-5-11)15(22)19-12(16(23)24)8-9-30(27,28)29-13(17(25)26)6-7-14(20)21/h2-5,12-13,18H,6-9H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)(H,27,28)/t12-,13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit Folylpoly-gamma-glutamyl synthetase				Bioorg Med Chem Lett 12: 2189-92 (2002) BindingDB Entry DOI: 10.7270/Q21835TN
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50116251 (2-{[3-(4-Amino-benzoylamino)-3-carboxy-propyl]-hyd...) Show SMILES Nc1ccc(cc1)C(=O)N[C@@H](CCP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C16H21N2O10P/c17-10-3-1-9(2-4-10)14(21)18-11(15(22)23)7-8-29(26,27)28-12(16(24)25)5-6-13(19)20/h1-4,11-12H,5-8,17H2,(H,18,21)(H,19,20)(H,22,23)(H,24,25)(H,26,27)/t11-,12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit Folylpoly-gamma-glutamyl synthetase				Bioorg Med Chem Lett 12: 2189-92 (2002) BindingDB Entry DOI: 10.7270/Q21835TN
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50011886 (5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCN)C(O)=O Show InChI InChI=1S/C20H25N9O3/c1-29(10-12-9-24-17-15(25-12)16(22)27-20(23)28-17)13-6-4-11(5-7-13)18(30)26-14(19(31)32)3-2-8-21/h4-7,9,14H,2-3,8,10,21H2,1H3,(H,26,30)(H,31,32)(H4,22,23,24,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against human Folyl-polyglutamate synthase isolated from CCRF-CEM human leukemia cells.				J Med Chem 39: 2536-40 (1996) Article DOI: 10.1021/jm960046w BindingDB Entry DOI: 10.7270/Q2000158
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50010931 (2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoyl...) Show SMILES Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)NC(C(O)CC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H21N7O6/c21-16-15-17(27-20(22)26-16)23-8-11(24-15)6-3-9-1-4-10(5-2-9)18(31)25-14(19(32)33)12(28)7-13(29)30/h1-2,4-5,8,12,14,28H,3,6-7H2,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Folyl-polyglutamate synthase in CCRF-CEM Human leukemia cell.				J Med Chem 34: 222-7 (1991) BindingDB Entry DOI: 10.7270/Q2XD10N1
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50010928 (2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...) Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CC(=C)C(O)=O)C(O)=O Show InChI InChI=1S/C23H25N7O5/c1-3-12(9-15-10-26-19-17(27-15)18(24)29-23(25)30-19)13-4-6-14(7-5-13)20(31)28-16(22(34)35)8-11(2)21(32)33/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,28,31)(H,32,33)(H,34,35)(H4,24,25,26,29,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Folyl-polyglutamate synthase in CCRF-CEM Human leukemia cell.				J Med Chem 34: 222-7 (1991) BindingDB Entry DOI: 10.7270/Q2XD10N1
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50054215 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C21H22N10O3/c1-31(9-13-8-25-18-16(27-13)17(22)29-21(23)30-18)14-4-2-11(3-5-14)19(32)28-15(20(33)34)6-12-7-24-10-26-12/h2-5,7-8,10,15H,6,9H2,1H3,(H,24,26)(H,28,32)(H,33,34)(H4,22,23,25,29,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Folyl-polyglutamate synthase from CCRF-CEM human leukemia cells.				J Med Chem 39: 4340-4 (1996) Article DOI: 10.1021/jm960250j BindingDB Entry DOI: 10.7270/Q2JH3K8H
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50054214 (2-{4-[(2-Amino-4-hydroxy-pteridin-6-ylmethyl)-amin...) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NC(Cc3cnc[nH]3)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C20H19N9O4/c21-20-28-16-15(18(31)29-20)26-13(8-24-16)7-23-11-3-1-10(2-4-11)17(30)27-14(19(32)33)5-12-6-22-9-25-12/h1-4,6,8-9,14,23H,5,7H2,(H,22,25)(H,27,30)(H,32,33)(H3,21,24,28,29,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Folyl-polyglutamate synthase from CCRF-CEM human leukemia cells.				J Med Chem 39: 4340-4 (1996) Article DOI: 10.1021/jm960250j BindingDB Entry DOI: 10.7270/Q2JH3K8H
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50054213 (3-(1-Carboxymethyl-1H-imidazol-4-yl)-2-{4-[(2,4-di...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(Cc1cn(CC(O)=O)cn1)C(O)=O Show InChI InChI=1S/C23H24N10O5/c1-32(8-14-7-26-20-18(28-14)19(24)30-23(25)31-20)15-4-2-12(3-5-15)21(36)29-16(22(37)38)6-13-9-33(11-27-13)10-17(34)35/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,29,36)(H,34,35)(H,37,38)(H4,24,25,26,30,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Folyl-polyglutamate synthase from CCRF-CEM human leukemia cells.				J Med Chem 39: 4340-4 (1996) Article DOI: 10.1021/jm960250j BindingDB Entry DOI: 10.7270/Q2JH3K8H
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50010924 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CC(=C)C(O)=O)C(O)=O Show InChI InChI=1S/C21H22N8O5/c1-10(19(31)32)7-14(20(33)34)26-18(30)11-3-5-13(6-4-11)29(2)9-12-8-24-17-15(25-12)16(22)27-21(23)28-17/h3-6,8,14H,1,7,9H2,2H3,(H,26,30)(H,31,32)(H,33,34)(H4,22,23,24,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Folyl-polyglutamate synthase in CCRF-CEM Human leukemia cell.				J Med Chem 34: 222-7 (1991) BindingDB Entry DOI: 10.7270/Q2XD10N1
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50010930 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(C(O)CC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O6/c1-28(8-10-7-23-17-15(24-10)16(21)26-20(22)27-17)11-4-2-9(3-5-11)18(32)25-14(19(33)34)12(29)6-13(30)31/h2-5,7,12,14,29H,6,8H2,1H3,(H,25,32)(H,30,31)(H,33,34)(H4,21,22,23,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Folyl-polyglutamate synthase in CCRF-CEM Human leukemia cell.				J Med Chem 34: 222-7 (1991) BindingDB Entry DOI: 10.7270/Q2XD10N1
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50010929 (2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoyl...) Show SMILES Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)NC(CC(=C)C(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C21H21N7O5/c1-10(19(30)31)8-14(20(32)33)26-18(29)12-5-2-11(3-6-12)4-7-13-9-24-17-15(25-13)16(22)27-21(23)28-17/h2-3,5-6,9,14H,1,4,7-8H2,(H,26,29)(H,30,31)(H,32,33)(H4,22,23,24,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Folyl-polyglutamate synthase in CCRF-CEM Human leukemia cell.				J Med Chem 34: 222-7 (1991) BindingDB Entry DOI: 10.7270/Q2XD10N1
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50051746 (5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CC(F)(F)CN)C(O)=O Show InChI InChI=1S/C20H23F2N9O3/c1-31(8-11-7-26-16-14(27-11)15(24)29-19(25)30-16)12-4-2-10(3-5-12)17(32)28-13(18(33)34)6-20(21,22)9-23/h2-5,7,13H,6,8-9,23H2,1H3,(H,28,32)(H,33,34)(H4,24,25,26,29,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against human Folyl-polyglutamate synthase isolated from CCRF-CEM human leukemia cells.				J Med Chem 39: 2536-40 (1996) Article DOI: 10.1021/jm960046w BindingDB Entry DOI: 10.7270/Q2000158
					More data for this Ligand-Target Pair