Compile Data Set for Download or QSAR

Found 427 hits with Last Name = 'jordan' and Initial = 'sr'   

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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22473 (2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...) Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1 |t:2,TLB:12:11:5.6:8,4:5:8:11.10.13,4:5:10:7.8.13,THB:6:5:10:7.8.13,6:7:5.12:10,12:5:8:11.10.13| Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005335 (2-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)C(=O)NC(CCC(O)=O)C(O)=O)c3cc2[nH]1 Show InChI InChI=1S/C23H25N5O5/c24-23-26-17-10-15-2-1-9-28(19(15)11-18(17)27-23)12-13-3-5-14(6-4-13)21(31)25-16(22(32)33)7-8-20(29)30/h3-6,10-11,16H,1-2,7-9,12H2,(H,25,31)(H,29,30)(H,32,33)(H3,24,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005329 (5-[4-(Morpholine-4-sulfonyl)-benzyl]-5,6,7,8-tetra...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCOCC4)c3cc2[nH]1 Show InChI InChI=1S/C21H25N5O3S/c22-21-23-18-12-16-2-1-7-25(20(16)13-19(18)24-21)14-15-3-5-17(6-4-15)30(27,28)26-8-10-29-11-9-26/h3-6,12-13H,1-2,7-11,14H2,(H3,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005324 (4-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccc(O)cc4)c3cc2[nH]1 Show InChI InChI=1S/C23H22N4O3S/c24-23-25-20-12-16-2-1-11-27(22(16)13-21(20)26-23)14-15-3-7-18(8-4-15)31(29,30)19-9-5-17(28)6-10-19/h3-10,12-13,28H,1-2,11,14H2,(H3,24,25,26)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005329 (5-[4-(Morpholine-4-sulfonyl)-benzyl]-5,6,7,8-tetra...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCOCC4)c3cc2[nH]1 Show InChI InChI=1S/C21H25N5O3S/c22-21-23-18-12-16-2-1-7-25(20(16)13-19(18)24-21)14-15-3-5-17(6-4-15)30(27,28)26-8-10-29-11-9-26/h3-6,12-13H,1-2,7-11,14H2,(H3,22,23,24)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005335 (2-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)C(=O)NC(CCC(O)=O)C(O)=O)c3cc2[nH]1 Show InChI InChI=1S/C23H25N5O5/c24-23-26-17-10-15-2-1-9-28(19(15)11-18(17)27-23)12-13-3-5-14(6-4-13)21(31)25-16(22(32)33)7-8-20(29)30/h3-6,10-11,16H,1-2,7-9,12H2,(H,25,31)(H,29,30)(H,32,33)(H3,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22467 (2-Amino-1,3-thiazol-4(5H)-one, 6h | 5-methyl-5-pro...) Show SMILES CCCC1(C)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:19,TLB:15:14:8.9:11,7:8:11:14.13.16,7:8:13:10.11.16,THB:9:8:13:10.11.16,9:10:8.15:13,15:8:11:14.13.16| Show InChI InChI=1S/C16H24N2OS/c1-3-4-15(2)13(19)17-14(20-15)18-16-8-10-5-11(9-16)7-12(16)6-10/h10-12H,3-9H2,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	12	-44.8	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22466 (2-Amino-1,3-thiazol-4(5H)-one, 5h | 5-ethyl-5-meth...) Show SMILES CCC1(C)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:18,TLB:14:13:7.8:10,6:7:10:13.12.15,6:7:12:9.10.15,THB:8:7:12:9.10.15,8:9:7.14:12,14:7:10:13.12.15| Show InChI InChI=1S/C15H22N2OS/c1-3-14(2)12(18)16-13(19-14)17-15-7-9-4-10(8-15)6-11(15)5-9/h9-11H,3-8H2,1-2H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	13	-44.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22472 (2-Amino-1,3-thiazol-4(5H)-one, 7b | 5,5-diethyl-2-...) Show SMILES CCC1(CC)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:19,TLB:15:14:8.9:11,7:8:11:14.13.16,7:8:13:10.11.16,THB:9:8:13:10.11.16,9:10:8.15:13,15:8:11:14.13.16| Show InChI InChI=1S/C16H24N2OS/c1-3-16(4-2)13(19)17-14(20-16)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,3-9H2,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	13	-44.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005330 (5-(4-Benzenesulfonyl-benzyl)-5,6,7,8-tetrahydro-1H...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1 Show InChI InChI=1S/C23H22N4O2S/c24-23-25-20-13-17-5-4-12-27(22(17)14-21(20)26-23)15-16-8-10-19(11-9-16)30(28,29)18-6-2-1-3-7-18/h1-3,6-11,13-14H,4-5,12,15H2,(H3,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22471 (2-(cyclooctylamino)-1-thia-3-azaspiro[4.4]non-2-en...) Show SMILES O=C1N=C(NC2CCCCCCC2)SC11CCCC1 |t:2| Show InChI InChI=1S/C15H24N2OS/c18-13-15(10-6-7-11-15)19-14(17-13)16-12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	14	-44.4	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005324 (4-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccc(O)cc4)c3cc2[nH]1 Show InChI InChI=1S/C23H22N4O3S/c24-23-25-20-12-16-2-1-11-27(22(16)13-21(20)26-23)14-15-3-7-18(8-4-15)31(29,30)19-9-5-17(28)6-10-19/h3-10,12-13,28H,1-2,11,14H2,(H3,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22474 (2-(adamantan-1-ylamino)-5,5-diethyl-4,5-dihydro-1,...) Show SMILES CCC1(CC)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:17:8:15:11.12.13,THB:17:12:15:9.8.16,16:8:11:15.14.13,16:14:11:9.8.17,7:8:15:11.12.13| Show InChI InChI=1S/C17H26N2OS/c1-3-17(4-2)14(20)18-15(21-17)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	20	-43.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005332 (5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-5,6,7,8-t...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4nc(N)[nH]c4cc23)cc1 Show InChI InChI=1S/C24H24N4O3S/c1-31-18-6-10-20(11-7-18)32(29,30)19-8-4-16(5-9-19)15-28-12-2-3-17-13-21-22(14-23(17)28)27-24(25)26-21/h4-11,13-14H,2-3,12,15H2,1H3,(H3,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22469 (2-(adamantan-1-ylamino)-5-methyl-5-propyl-4,5-dihy...) Show SMILES CCCC1(C)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:17:8:15:11.12.13,THB:17:12:15:9.8.16,16:8:11:15.14.13,16:14:11:9.8.17,7:8:15:11.12.13| Show InChI InChI=1S/C17H26N2OS/c1-3-4-16(2)14(20)18-15(21-16)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-13H,3-10H2,1-2H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	24	-43.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22468 (2-(adamantan-1-ylamino)-5-ethyl-5-methyl-4,5-dihyd...) Show SMILES CCC1(C)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:19,TLB:16:7:14:10.11.12,THB:16:11:14:8.7.15,15:7:10:14.13.12,15:13:10:8.7.16,6:7:14:10.11.12| Show InChI InChI=1S/C16H24N2OS/c1-3-15(2)13(19)17-14(20-15)18-16-7-10-4-11(8-16)6-12(5-10)9-16/h10-12H,3-9H2,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	24	-43.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22463 (2-Amino-1,3-thiazol-4(5H)-one, 6f | 2-{bicyclo[2.2...) Show SMILES CCCC1(C)SC(NC23CCC(CC2)C3)=NC1=O |c:16| Show InChI InChI=1S/C14H22N2OS/c1-3-6-13(2)11(17)15-12(18-13)16-14-7-4-10(9-14)5-8-14/h10H,3-9H2,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22470 (2-(cyclooctylamino)-5,5-diethyl-4,5-dihydro-1,3-th...) Show SMILES CCC1(CC)SC(NC2CCCCCCC2)=NC1=O |c:16| Show InChI InChI=1S/C15H26N2OS/c1-3-15(4-2)13(18)17-14(19-15)16-12-10-8-6-5-7-9-11-12/h12H,3-11H2,1-2H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	26	-42.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22459 (2-(cyclooctylamino)-5-methyl-5-propyl-4,5-dihydro-...) Show SMILES CCCC1(C)SC(NC2CCCCCCC2)=NC1=O |c:16| Show InChI InChI=1S/C15H26N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	28	-42.7	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22475 (2-(adamantan-1-ylamino)-1-thia-3-azaspiro[4.4]non-...) Show SMILES O=C1N=C(NC23CC4CC(CC(C4)C2)C3)SC11CCCC1 |t:2,TLB:14:5:12:8.9.10,THB:14:9:12:6.5.13,13:5:8:12.11.10,13:11:8:6.5.14,4:5:12:8.9.10| Show InChI InChI=1S/C17H24N2OS/c20-14-17(3-1-2-4-17)21-15(18-14)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,1-10H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	28	-42.7	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22457 (2-(cycloheptylamino)-5-methyl-5-propyl-4,5-dihydro...) Show SMILES CCCC1(C)SC(NC2CCCCCC2)=NC1=O |c:15| Show InChI InChI=1S/C14H24N2OS/c1-3-10-14(2)12(17)16-13(18-14)15-11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	32	-42.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22455 (2-Amino-1,3-thiazol-4(5H)-one, 6b | 2-[(cyclohexyl...) Show SMILES CCCC1(C)SC(NCC2CCCCC2)=NC1=O |c:15| Show InChI InChI=1S/C14H24N2OS/c1-3-9-14(2)12(17)16-13(18-14)15-10-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	34	-42.2	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005322 (CHEMBL353813 | [6-(2-Amino-1,6,7,8-tetrahydro-imid...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc5cc(CO)ccc5c4)c3cc2[nH]1 Show InChI InChI=1S/C22H22N4O/c23-22-24-19-10-18-2-1-7-26(21(18)11-20(19)25-22)12-14-3-5-17-9-15(13-27)4-6-16(17)8-14/h3-6,8-11,27H,1-2,7,12-13H2,(H3,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22461 (2-Amino-1,3-thiazol-4(5H)-one, 6e | 5-methyl-5-pro...) Show SMILES CCCC1(C)SC(NC2C(C)(C)C2(C)C)=NC1=O |c:15| Show InChI InChI=1S/C14H24N2OS/c1-7-8-14(6)10(17)16-11(18-14)15-9-12(2,3)13(9,4)5/h9H,7-8H2,1-6H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	38	-41.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005322 (CHEMBL353813 | [6-(2-Amino-1,6,7,8-tetrahydro-imid...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc5cc(CO)ccc5c4)c3cc2[nH]1 Show InChI InChI=1S/C22H22N4O/c23-22-24-19-10-18-2-1-7-26(21(18)11-20(19)25-22)12-14-3-5-17-9-15(13-27)4-6-16(17)8-14/h3-6,8-11,27H,1-2,7,12-13H2,(H3,23,24,25)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005332 (5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-5,6,7,8-t...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4nc(N)[nH]c4cc23)cc1 Show InChI InChI=1S/C24H24N4O3S/c1-31-18-6-10-20(11-7-18)32(29,30)19-8-4-16(5-9-19)15-28-12-2-3-17-13-21-22(14-23(17)28)27-24(25)26-21/h4-11,13-14H,2-3,12,15H2,1H3,(H3,25,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005330 (5-(4-Benzenesulfonyl-benzyl)-5,6,7,8-tetrahydro-1H...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1 Show InChI InChI=1S/C23H22N4O2S/c24-23-25-20-13-17-5-4-12-27(22(17)14-21(20)26-23)15-16-8-10-19(11-9-16)30(28,29)18-6-2-1-3-7-18/h1-3,6-11,13-14H,4-5,12,15H2,(H3,24,25,26)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22458 (2-(cyclooctylamino)-5-ethyl-5-methyl-4,5-dihydro-1...) Show SMILES CCC1(C)SC(NC2CCCCCCC2)=NC1=O |c:15| Show InChI InChI=1S/C14H24N2OS/c1-3-14(2)12(17)16-13(18-14)15-11-9-7-5-4-6-8-10-11/h11H,3-10H2,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	47	-41.4	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005327 (5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-1-methyl-...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4n(C)c(N)nc4cc23)cc1 Show InChI InChI=1S/C25H26N4O3S/c1-28-24-14-18-4-3-13-29(23(18)15-22(24)27-25(28)26)16-17-5-9-20(10-6-17)33(30,31)21-11-7-19(32-2)8-12-21/h5-12,14-15H,3-4,13,16H2,1-2H3,(H2,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22453 (2-(cyclohexylamino)-5-methyl-5-propyl-4,5-dihydro-...) Show SMILES CCCC1(C)SC(NC2CCCCC2)=NC1=O |c:14| Show InChI InChI=1S/C13H22N2OS/c1-3-9-13(2)11(16)15-12(17-13)14-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	55	-41.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22460 (2-Amino-1,3-thiazol-4(5H)-one, 5e | 5-ethyl-5-meth...) Show SMILES CCC1(C)SC(NC2C(C)(C)C2(C)C)=NC1=O |c:14| Show InChI InChI=1S/C13H22N2OS/c1-7-13(6)9(16)15-10(17-13)14-8-11(2,3)12(8,4)5/h8H,7H2,1-6H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	58	-40.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22454 (2-Amino-1,3-thiazol-4(5H)-one, 5b | 2-[(cyclohexyl...) Show SMILES CCC1(C)SC(NCC2CCCCC2)=NC1=O |c:14| Show InChI InChI=1S/C13H22N2OS/c1-3-13(2)11(16)15-12(17-13)14-9-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	64	-40.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005323 (5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetra...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCNCC4)c3cc2[nH]1 Show InChI InChI=1S/C21H26N6O2S/c22-21-24-18-12-16-2-1-9-26(20(16)13-19(18)25-21)14-15-3-5-17(6-4-15)30(28,29)27-10-7-23-8-11-27/h3-6,12-13,23H,1-2,7-11,14H2,(H3,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22462 (2-Amino-1,3-thiazol-4(5H)-one, 5f | 2-{bicyclo[2.2...) Show SMILES CCC1(C)SC(NC23CCC(CC2)C3)=NC1=O |c:15| Show InChI InChI=1S/C13H20N2OS/c1-3-12(2)10(16)14-11(17-12)15-13-6-4-9(8-13)5-7-13/h9H,3-8H2,1-2H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	73	-40.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22456 (2-(cycloheptylamino)-5-ethyl-5-methyl-4,5-dihydro-...) Show SMILES CCC1(C)SC(NC2CCCCCC2)=NC1=O |c:14| Show InChI InChI=1S/C13H22N2OS/c1-3-13(2)11(16)15-12(17-13)14-10-8-6-4-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	82	-40.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM22473 (2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...) Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1 |t:2,TLB:12:11:5.6:8,4:5:8:11.10.13,4:5:10:7.8.13,THB:6:5:10:7.8.13,6:7:5.12:10,12:5:8:11.10.13| Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	120	-39.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description Enzyme assays were performed using purified recombinant enzymes, incubating with test compound and [3H]cortisone/NADPH. After incubation, the amount ...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22451 (2-(cyclohexylamino)-5-ethyl-5-methyl-4,5-dihydro-1...) Show SMILES CCC1(C)SC(NC2CCCCC2)=NC1=O |c:13| Show InChI InChI=1S/C12H20N2OS/c1-3-12(2)10(15)14-11(16-12)13-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	126	-39.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005323 (5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetra...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCNCC4)c3cc2[nH]1 Show InChI InChI=1S/C21H26N6O2S/c22-21-24-18-12-16-2-1-9-26(20(16)13-19(18)25-21)14-15-3-5-17(6-4-15)30(28,29)27-10-7-23-8-11-27/h3-6,12-13,23H,1-2,7-11,14H2,(H3,22,24,25)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22465 (2-Amino-1,3-thiazol-4(5H)-one, 6g | 2-{bicyclo[2.2...) Show SMILES CCCC1(C)SC(NC2C3CCC2CC3)=NC1=O |c:16,TLB:7:8:10.11:13.14| Show InChI InChI=1S/C14H22N2OS/c1-3-8-14(2)12(17)16-13(18-14)15-11-9-4-5-10(11)7-6-9/h9-11H,3-8H2,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	149	-38.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Rattus norvegicus (rat))	BDBM22473 (2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...) Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1 |t:2,TLB:12:11:5.6:8,4:5:8:11.10.13,4:5:10:7.8.13,THB:6:5:10:7.8.13,6:7:5.12:10,12:5:8:11.10.13| Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	180	-38.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description Enzyme assays were performed using purified recombinant enzymes, incubating with test compound and [3H]cortisone/NADPH. After incubation, the amount ...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005331 (5-(4-Benzenesulfonyl-phenylsulfanyl)-5,6,7,8-tetra...) Show SMILES Nc1nc2cc3CCCC(Sc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1 Show InChI InChI=1S/C23H21N3O2S2/c24-23-25-20-13-15-5-4-8-22(19(15)14-21(20)26-23)29-16-9-11-18(12-10-16)30(27,28)17-6-2-1-3-7-17/h1-3,6-7,9-14,22H,4-5,8H2,(H3,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005331 (5-(4-Benzenesulfonyl-phenylsulfanyl)-5,6,7,8-tetra...) Show SMILES Nc1nc2cc3CCCC(Sc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1 Show InChI InChI=1S/C23H21N3O2S2/c24-23-25-20-13-15-5-4-8-22(19(15)14-21(20)26-23)29-16-9-11-18(12-10-16)30(27,28)17-6-2-1-3-7-17/h1-3,6-7,9-14,22H,4-5,8H2,(H3,24,25,26)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22464 (2-Amino-1,3-thiazol-4(5H)-one, 5g | 2-{bicyclo[2.2...) Show SMILES CCC1(C)SC(NC2C3CCC2CC3)=NC1=O |c:15,TLB:6:7:9.10:12.13| Show InChI InChI=1S/C13H20N2OS/c1-3-13(2)11(16)15-12(17-13)14-10-8-4-5-9(10)7-6-8/h8-10H,3-7H2,1-2H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	372	-36.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005325 (5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-2-methyl-...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4nc(C)[nH]c4cc23)cc1 Show InChI InChI=1S/C25H25N3O3S/c1-17-26-23-14-19-4-3-13-28(25(19)15-24(23)27-17)16-18-5-9-21(10-6-18)32(29,30)22-11-7-20(31-2)8-12-22/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005326 (5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-1,2-dimet...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4n(C)c(C)nc4cc23)cc1 Show InChI InChI=1S/C26H27N3O3S/c1-18-27-24-16-25-20(15-26(24)28(18)2)5-4-14-29(25)17-19-6-10-22(11-7-19)33(30,31)23-12-8-21(32-3)9-13-23/h6-13,15-16H,4-5,14,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005327 (5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-1-methyl-...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4n(C)c(N)nc4cc23)cc1 Show InChI InChI=1S/C25H26N4O3S/c1-28-24-14-18-4-3-13-29(23(18)15-22(24)27-25(28)26)16-17-5-9-20(10-6-17)33(30,31)21-11-7-19(32-2)8-12-21/h5-12,14-15H,3-4,13,16H2,1-2H3,(H2,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005333 (CHEMBL169726 | [5-(4-Benzenesulfonyl-benzyl)-5,6,7...) Show SMILES CNc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1 Show InChI InChI=1S/C24H24N4O2S/c1-25-24-26-21-14-18-6-5-13-28(23(18)15-22(21)27-24)16-17-9-11-20(12-10-17)31(29,30)19-7-3-2-4-8-19/h2-4,7-12,14-15H,5-6,13,16H2,1H3,(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005325 (5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-2-methyl-...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4nc(C)[nH]c4cc23)cc1 Show InChI InChI=1S/C25H25N3O3S/c1-17-26-23-14-19-4-3-13-28(25(19)15-24(23)27-17)16-18-5-9-21(10-6-18)32(29,30)22-11-7-20(31-2)8-12-22/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005334 (5-(4-Benzenesulfonyl-benzyl)-2-methylsulfanyl-5,6,...) Show SMILES CSc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1 Show InChI InChI=1S/C24H23N3O2S2/c1-30-24-25-21-14-18-6-5-13-27(23(18)15-22(21)26-24)16-17-9-11-20(12-10-17)31(28,29)19-7-3-2-4-8-19/h2-4,7-12,14-15H,5-6,13,16H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005334 (5-(4-Benzenesulfonyl-benzyl)-2-methylsulfanyl-5,6,...) Show SMILES CSc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1 Show InChI InChI=1S/C24H23N3O2S2/c1-30-24-25-21-14-18-6-5-13-27(23(18)15-22(21)26-24)16-17-9-11-20(12-10-17)31(28,29)19-7-3-2-4-8-19/h2-4,7-12,14-15H,5-6,13,16H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair

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