Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'coward' and Initial = 'jk'   

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
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50051747 (5-Amino-2-{4-[(2-amino-4-hydroxy-5,6,7,8-tetrahydr...) Show SMILES NCCCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3N2)cc1)C(O)=O Show InChI InChI=1S/C19H26N8O4/c20-7-1-2-13(18(30)31)25-16(28)10-3-5-11(6-4-10)22-8-12-9-23-15-14(24-12)17(29)27-19(21)26-15/h3-6,12-13,22,24H,1-2,7-9,20H2,(H,25,28)(H,30,31)(H4,21,23,26,27,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against mammalian Folyl-polyglutamate synthase				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
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50060962 (2-Amino-4-[1-({[3-(4-amino-butylamino)-propoxy]-hy...) Show SMILES C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCP([O-])(=O)OCCC[NH2+]CCCC[NH3+] Show InChI InChI=1S/C16H34N5O7P/c1-12(21-14(22)6-5-13(18)16(24)25)15(23)20-11-29(26,27)28-10-4-9-19-8-3-2-7-17/h12-13,19H,2-11,17-18H2,1H3,(H,20,23)(H,21,22)(H,24,25)(H,26,27)/p+1/t12-,13-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Glutathionylspermidine synthetase				J Med Chem 40: 3842-50 (1997) Article DOI: 10.1021/jm970414b BindingDB Entry DOI: 10.7270/Q2MP53XB
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50060962 (2-Amino-4-[1-({[3-(4-amino-butylamino)-propoxy]-hy...) Show SMILES C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCP([O-])(=O)OCCC[NH2+]CCCC[NH3+] Show InChI InChI=1S/C16H34N5O7P/c1-12(21-14(22)6-5-13(18)16(24)25)15(23)20-11-29(26,27)28-10-4-9-19-8-3-2-7-17/h12-13,19H,2-11,17-18H2,1H3,(H,20,23)(H,21,22)(H,24,25)(H,26,27)/p+1/t12-,13-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Glutathionylspermidine synthetase from Escherichia coli, value taken from literature				J Med Chem 40: 3842-50 (1997) Article DOI: 10.1021/jm970414b BindingDB Entry DOI: 10.7270/Q2MP53XB
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50060963 (O-Methyl-N-[3-[N-(4-aminobutyl)amino]propyl][[(glu...) Show SMILES COP(=O)(CNC(=O)[C@H](C)NC(=O)CC[C@H]([NH3+])C([O-])=O)NCCC[NH2+]CCCC[NH3+] Show InChI InChI=1S/C17H37N6O6P/c1-13(23-15(24)7-6-14(19)17(26)27)16(25)21-12-30(28,29-2)22-11-5-10-20-9-4-3-8-18/h13-14,20H,3-12,18-19H2,1-2H3,(H,21,25)(H,22,28)(H,23,24)(H,26,27)/p+2/t13-,14-,30?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Glutathionylspermidine synthetase. Values from different publications.				J Med Chem 40: 3842-50 (1997) Article DOI: 10.1021/jm970414b BindingDB Entry DOI: 10.7270/Q2MP53XB
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50367029 (CHEMBL553016) Show SMILES COc1ccc(cc1CC[S+](C)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)CN(C)Cc1ccccc1 |r| Show InChI InChI=1S/C30H39N6O6S/c1-35(14-19-7-5-4-6-8-19)15-22(37)20-9-10-23(40-2)21(13-20)11-12-43(3)41-16-24-26(38)27(39)30(42-24)36-18-34-25-28(31)32-17-33-29(25)36/h4-10,13,17-18,22,24,26-27,30,37-39H,11-12,14-16H2,1-3H3,(H2,31,32,33)/q+1/t22?,24-,26-,27-,30-,43?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of Catechol O-methyltransferase using radiochemical assay				J Med Chem 24: 1271-7 (1982) BindingDB Entry DOI: 10.7270/Q26D5TJM
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50367030 (CHEMBL539878) Show SMILES C[S+](CCc1ccccc1)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H24N5O4S/c1-29(8-7-12-5-3-2-4-6-12)27-9-13-15(25)16(26)19(28-13)24-11-23-14-17(20)21-10-22-18(14)24/h2-6,10-11,13,15-16,19,25-26H,7-9H2,1H3,(H2,20,21,22)/q+1/t13-,15-,16-,19-,29?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of Catechol O-methyltransferase using radiochemical assay				J Med Chem 24: 1271-7 (1982) BindingDB Entry DOI: 10.7270/Q26D5TJM
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50367031 (CHEMBL557014) Show SMILES COc1ccccc1CC[S+](C)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H26N5O5S/c1-28-13-6-4-3-5-12(13)7-8-31(2)29-9-14-16(26)17(27)20(30-14)25-11-24-15-18(21)22-10-23-19(15)25/h3-6,10-11,14,16-17,20,26-27H,7-9H2,1-2H3,(H2,21,22,23)/q+1/t14-,16-,17-,20-,31?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of Catechol O-methyltransferase using radiochemical assay				J Med Chem 24: 1271-7 (1982) BindingDB Entry DOI: 10.7270/Q26D5TJM
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM22111 ((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...) Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>5.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of Catechol O-methyltransferase using radiochemical assay				J Med Chem 24: 1271-7 (1982) BindingDB Entry DOI: 10.7270/Q26D5TJM
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50367028 (CHEMBL553200) Show SMILES COc1ccccc1CC[S+](C)CCC(N)C(O)=O Show InChI InChI=1S/C14H21NO3S/c1-18-13-6-4-3-5-11(13)7-9-19(2)10-8-12(15)14(16)17/h3-6,12H,7-10,15H2,1-2H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of Catechol O-methyltransferase using radiochemical assay				J Med Chem 24: 1271-7 (1982) BindingDB Entry DOI: 10.7270/Q26D5TJM
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50366942 (CHEMBL540135) Show SMILES C[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C12H18N5O3S/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)/q+1/t6-,8-,9-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of Catechol O-methyltransferase using radiochemical assay				J Med Chem 24: 1271-7 (1982) BindingDB Entry DOI: 10.7270/Q26D5TJM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase (DHFR) enzyme 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				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50049156 ((2R,4R)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-me...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@H](C[C@@H](F)C(O)=O)C(O)=O Show InChI InChI=1S/C20H21FN8O5/c1-29(8-10-7-24-16-14(25-10)15(22)27-20(23)28-16)11-4-2-9(3-5-11)17(30)26-13(19(33)34)6-12(21)18(31)32/h2-5,7,12-13H,6,8H2,1H3,(H,26,30)(H,31,32)(H,33,34)(H4,22,23,24,27,28)/t12-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 1				J Med Chem 39: 56-65 (1996) Article DOI: 10.1021/jm950515e BindingDB Entry DOI: 10.7270/Q2Q81DR3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase enzyme (DHFR) enzyme isolated from CCRF-CEM human leukemia cells. value mentioned is from li...				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
Dihydrofolate reductase (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.18	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 1				J Med Chem 39: 56-65 (1996) Article DOI: 10.1021/jm950515e BindingDB Entry DOI: 10.7270/Q2Q81DR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase enzyme (DHFR) enzyme 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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50049154 (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)=O)C(F)(F)CC(O)=O Show InChI InChI=1S/C20H20F2N8O5/c1-30(8-10-7-25-16-13(26-10)15(23)28-19(24)29-16)11-4-2-9(3-5-11)17(33)27-14(18(34)35)20(21,22)6-12(31)32/h2-5,7,14H,6,8H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 2				J Med Chem 39: 56-65 (1996) Article DOI: 10.1021/jm950515e BindingDB Entry DOI: 10.7270/Q2Q81DR3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 2				J Med Chem 39: 56-65 (1996) Article DOI: 10.1021/jm950515e BindingDB Entry DOI: 10.7270/Q2Q81DR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50049155 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CC(F)C(O)=O)C(O)=O Show InChI InChI=1S/C20H21FN8O5/c1-29(8-10-7-24-16-14(25-10)15(22)27-20(23)28-16)11-4-2-9(3-5-11)17(30)26-13(19(33)34)6-12(21)18(31)32/h2-5,7,12-13H,6,8H2,1H3,(H,26,30)(H,31,32)(H,33,34)(H4,22,23,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 1				J Med Chem 39: 56-65 (1996) Article DOI: 10.1021/jm950515e BindingDB Entry DOI: 10.7270/Q2Q81DR3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 2				J Med Chem 39: 56-65 (1996) Article DOI: 10.1021/jm950515e BindingDB Entry DOI: 10.7270/Q2Q81DR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase enzyme (DHFR) enzyme 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
Glutamate carboxypeptidase 2 (Rattus norvegicus)	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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	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 Glutamate carboxypeptidase-II using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate				Bioorg Med Chem Lett 12: 2189-92 (2002) BindingDB Entry DOI: 10.7270/Q21835TN
					More data for this Ligand-Target Pair
Spermidine synthase (Homo sapiens (Human))	BDBM50369035 (CHEMBL608868) Show SMILES NCCCCNC(CCN)CC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C18H32N8O3/c19-6-1-2-8-22-11(5-7-20)3-4-12-14(27)15(28)18(29-12)26-10-25-13-16(21)23-9-24-17(13)26/h9-12,14-15,18,22,27-28H,1-8,19-20H2,(H2,21,23,24)/t11?,12-,14-,15-,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of prokaryotic Escherichia coli Putrescine aminopropyltransferase was determined				J Med Chem 38: 2714-27 (1995) BindingDB Entry DOI: 10.7270/Q23T9HW3
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Rattus norvegicus)	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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	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 Glutamate carboxypeptidase-II using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate				Bioorg Med Chem Lett 12: 2189-92 (2002) BindingDB Entry DOI: 10.7270/Q21835TN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Rattus norvegicus)	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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	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 Glutamate carboxypeptidase-II using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate				Bioorg Med Chem Lett 12: 2189-92 (2002) BindingDB Entry DOI: 10.7270/Q21835TN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Rattus norvegicus)	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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	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 Glutamate carboxypeptidase-II using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate				Bioorg Med Chem Lett 12: 2189-92 (2002) BindingDB Entry DOI: 10.7270/Q21835TN
					More data for this Ligand-Target Pair
Spermidine synthase (Homo sapiens (Human))	BDBM50369035 (CHEMBL608868) Show SMILES NCCCCNC(CCN)CC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C18H32N8O3/c19-6-1-2-8-22-11(5-7-20)3-4-12-14(27)15(28)18(29-12)26-10-25-13-16(21)23-9-24-17(13)26/h9-12,14-15,18,22,27-28H,1-8,19-20H2,(H2,21,23,24)/t11?,12-,14-,15-,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Putrescine aminopropyl transferase (PAPT) in rat liver				J Med Chem 38: 2714-27 (1995) BindingDB Entry DOI: 10.7270/Q23T9HW3
					More data for this Ligand-Target Pair
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
Spermidine synthase (Rattus norvegicus)	BDBM50095449 (2-[1-(2-Amino-ethyl)-6-(3-amino-propylamino)-hexyl...) Show SMILES NCCCNCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C21H38N8O3S/c22-7-4-10-25-9-3-1-2-5-14(6-8-23)33-11-15-17(30)18(31)21(32-15)29-13-28-16-19(24)26-12-27-20(16)29/h12-15,17-18,21,25,30-31H,1-11,22-23H2,(H2,24,26,27)/t14?,15-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Spermidine aminopropyltransferase (SAPT) in rat liver.				J Med Chem 38: 2714-27 (1995) BindingDB Entry DOI: 10.7270/Q23T9HW3
					More data for this Ligand-Target Pair
Spermidine synthase (Rattus norvegicus)	BDBM50095450 (2-[6-Amino-1-(2-amino-ethyl)-hexylsulfanylmethyl]-...) Show SMILES NCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C18H31N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h9-12,14-15,18,26-27H,1-8,19-20H2,(H2,21,22,23)/t11?,12-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Putrescine aminopropyl transferase (PAPT) in rat liver				J Med Chem 38: 2714-27 (1995) BindingDB Entry DOI: 10.7270/Q23T9HW3
					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
Spermidine synthase (Homo sapiens (Human))	BDBM50095450 (2-[6-Amino-1-(2-amino-ethyl)-hexylsulfanylmethyl]-...) Show SMILES NCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C18H31N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h9-12,14-15,18,26-27H,1-8,19-20H2,(H2,21,22,23)/t11?,12-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of prokaryotic Escherichia coli Putrescine aminopropyltransferase was determined				J Med Chem 38: 2714-27 (1995) BindingDB Entry DOI: 10.7270/Q23T9HW3
					More data for this Ligand-Target Pair
Spermidine synthase (Rattus norvegicus)	BDBM50095450 (2-[6-Amino-1-(2-amino-ethyl)-hexylsulfanylmethyl]-...) Show SMILES NCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C18H31N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h9-12,14-15,18,26-27H,1-8,19-20H2,(H2,21,22,23)/t11?,12-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against spermidine synthase				J Med Chem 24: 1277-84 (1982) BindingDB Entry DOI: 10.7270/Q2XP763C
					More data for this Ligand-Target Pair
Dihydrofolate reductase (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against purified human dihydrofolate reductase (DHFR) in human leukemia cells (CCRF-CEM)				J Med Chem 39: 66-72 (1996) Article DOI: 10.1021/jm950514m BindingDB Entry DOI: 10.7270/Q21835KH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spermidine synthase (Rattus norvegicus)	BDBM50369035 (CHEMBL608868) Show SMILES NCCCCNC(CCN)CC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C18H32N8O3/c19-6-1-2-8-22-11(5-7-20)3-4-12-14(27)15(28)18(29-12)26-10-25-13-16(21)23-9-24-17(13)26/h9-12,14-15,18,22,27-28H,1-8,19-20H2,(H2,21,23,24)/t11?,12-,14-,15-,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Spermidine aminopropyltransferase (SAPT) in rat liver.				J Med Chem 38: 2714-27 (1995) BindingDB Entry DOI: 10.7270/Q23T9HW3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50049157 (4-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CC(F)(F)C(O)=O)C(O)=O Show InChI InChI=1S/C20H20F2N8O5/c1-30(8-10-7-25-15-13(26-10)14(23)28-19(24)29-15)11-4-2-9(3-5-11)16(31)27-12(17(32)33)6-20(21,22)18(34)35/h2-5,7,12H,6,8H2,1H3,(H,27,31)(H,32,33)(H,34,35)(H4,23,24,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against purified human dihydrofolate reductase (DHFR) in human leukemia cells (CCRF-CEM)				J Med Chem 39: 66-72 (1996) Article DOI: 10.1021/jm950514m BindingDB Entry DOI: 10.7270/Q21835KH
					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
Spermidine synthase (Rattus norvegicus)	BDBM50095449 (2-[1-(2-Amino-ethyl)-6-(3-amino-propylamino)-hexyl...) Show SMILES NCCCNCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C21H38N8O3S/c22-7-4-10-25-9-3-1-2-5-14(6-8-23)33-11-15-17(30)18(31)21(32-15)29-13-28-16-19(24)26-12-27-20(16)29/h12-15,17-18,21,25,30-31H,1-11,22-23H2,(H2,24,26,27)/t14?,15-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Putrescine aminopropyltransferase (PAPT) in rat liver.				J Med Chem 38: 2714-27 (1995) BindingDB Entry DOI: 10.7270/Q23T9HW3
					More data for this Ligand-Target Pair
Spermidine synthase (Rattus norvegicus)	BDBM50404650 (CHEMBL557606) Show SMILES C[S+](C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(CCN)CCCCCN |r| Show InChI InChI=1S/C19H34N7O3S/c1-30(12(6-8-21)5-3-2-4-7-20)9-13-15(27)16(28)19(29-13)26-11-25-14-17(22)23-10-24-18(14)26/h10-13,15-16,19,27-28H,2-9,20-21H2,1H3,(H2,22,23,24)/q+1/t12?,13-,15-,16-,19+,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against spermidine synthase				J Med Chem 24: 1277-84 (1982) BindingDB Entry DOI: 10.7270/Q2XP763C
					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
Spermidine synthase (Rattus norvegicus)	BDBM50404650 (CHEMBL557606) Show SMILES C[S+](C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(CCN)CCCCCN |r| Show InChI InChI=1S/C19H34N7O3S/c1-30(12(6-8-21)5-3-2-4-7-20)9-13-15(27)16(28)19(29-13)26-11-25-14-17(22)23-10-24-18(14)26/h10-13,15-16,19,27-28H,2-9,20-21H2,1H3,(H2,22,23,24)/q+1/t12?,13-,15-,16-,19+,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against spermine synthase				J Med Chem 24: 1277-84 (1982) BindingDB Entry DOI: 10.7270/Q2XP763C
					More data for this Ligand-Target Pair
Spermidine synthase (Rattus norvegicus)	BDBM50095450 (2-[6-Amino-1-(2-amino-ethyl)-hexylsulfanylmethyl]-...) Show SMILES NCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C18H31N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h9-12,14-15,18,26-27H,1-8,19-20H2,(H2,21,22,23)/t11?,12-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB 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 Michigan Curated by ChEMBL					Assay Description Inhibition of Spermidine aminopropyltransferase (SAPT) in rat liver.				J Med Chem 38: 2714-27 (1995) BindingDB Entry DOI: 10.7270/Q23T9HW3
					More data for this Ligand-Target Pair
Spermidine synthase (Rattus norvegicus)	BDBM50404649 (CHEMBL178068) Show SMILES CCCCCC(CC)[S+](C)C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C19H32N5O3S/c1-4-6-7-8-12(5-2)28(3)9-13-15(25)16(26)19(27-13)24-11-23-14-17(20)21-10-22-18(14)24/h10-13,15-16,19,25-26H,4-9H2,1-3H3,(H2,20,21,22)/q+1/t12?,13-,15-,16-,19+,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against spermidine synthase				J Med Chem 24: 1277-84 (1982) BindingDB Entry DOI: 10.7270/Q2XP763C
					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