Compile Data Set for Download or QSAR

Found 346 hits with Last Name = 'homan' and Initial = 'e'   

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
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))	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
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))	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
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
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))	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))	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))	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
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
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
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
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
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
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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Relative binding affinity for human estrogen receptor alpha by displacement of [3H]-estradiol				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50410843 (CHEMBL5281221) Show SMILES CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 |t:12| Show InChI InChI=1S/C28H29N7O3/c1-29-20-9-8-10-21(17-20)31-25(36)18-35-28(38)34(19-26(37)33-15-6-7-16-33)24-13-3-2-11-22(24)27(32-35)23-12-4-5-14-30-23/h2-5,8-14,17,29H,6-7,15-16,18-19H2,1H3,(H,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity against melatonin receptor was determined				Citation and Details
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50573217 (CHEMBL4876307) Show SMILES Fc1ccc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig trachea assessed as inhibition of methacholine-induced airway smooth muscle contracti...				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50410803 (CHEMBL5280359) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(C\C(=N/OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C36H37F6N5O3/c37-35(38,39)28-18-26(19-29(21-28)36(40,41)42)34(48)47-11-10-46(23-30(47)20-27-22-43-32-9-5-4-8-31(27)32)24-33(25-6-2-1-3-7-25)44-50-17-14-45-12-15-49-16-13-45/h1-9,18-19,21-22,30,43H,10-17,20,23-24H2/b44-33+/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat GnRH receptor assessed as luteinizing hormone release in rat pituitary cells				Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50410844 (CHEMBL5289028) Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-n2ccnc2)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C31H36N6O3/c1-31(2,3)27(38)19-36-26-15-8-7-14-25(26)29(22-10-5-4-6-11-22)34-37(30(36)40)20-28(39)33-23-12-9-13-24(18-23)35-17-16-32-21-35/h7-9,12-18,21-22H,4-6,10-11,19-20H2,1-3H3,(H,33,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required to inhibit the HIV-1 recombinant Reverse Transcriptase (rRT) activity by 50%. Activated calf thymus DNA was used as template p...				Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50410844 (CHEMBL5289028) Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-n2ccnc2)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C31H36N6O3/c1-31(2,3)27(38)19-36-26-15-8-7-14-25(26)29(22-10-5-4-6-11-22)34-37(30(36)40)20-28(39)33-23-12-9-13-24(18-23)35-17-16-32-21-35/h7-9,12-18,21-22H,4-6,10-11,19-20H2,1-3H3,(H,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required to inhibit the HIV-1 recombinant Reverse Transcriptase (rRT) activity by 50%. Activated calf thymus DNA was used as template p...				Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50410843 (CHEMBL5281221) Show SMILES CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 |t:12| Show InChI InChI=1S/C28H29N7O3/c1-29-20-9-8-10-21(17-20)31-25(36)18-35-28(38)34(19-26(37)33-15-6-7-16-33)24-13-3-2-11-22(24)27(32-35)23-12-4-5-14-30-23/h2-5,8-14,17,29H,6-7,15-16,18-19H2,1H3,(H,31,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required to inhibit the HIV-1 recombinant Reverse Transcriptase (rRT) activity by 50%. Activated calf thymus DNA was used as template p...				Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50512074 (CHEMBL4575813) Show SMILES ONC(=O)CCCCCCn1cc(Nc2ncc(Cl)c(Nc3ccc(Cl)cc3)n2)cn1 Show InChI InChI=1S/C20H23Cl2N7O2/c21-14-6-8-15(9-7-14)25-19-17(22)12-23-20(27-19)26-16-11-24-29(13-16)10-4-2-1-3-5-18(30)28-31/h6-9,11-13,31H,1-5,10H2,(H,28,30)(H2,23,25,26,27)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig trachea assessed as inhibition of methacholine-induced airway smooth muscle contracti...				Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50410836 (CHEMBL5274303) Show SMILES CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:12| Show InChI InChI=1S/C31H28N6O3/c1-21-10-3-4-13-24(21)28(38)19-36-27-16-6-5-14-25(27)30(26-15-7-8-17-33-26)35-37(31(36)40)20-29(39)34-23-12-9-11-22(18-23)32-2/h3-18,32H,19-20H2,1-2H3,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig trachea assessed as inhibition of methacholine-induced airway smooth muscle contracti...				Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50594749 (CHEMBL5170300) Show SMILES COc1c(OCCCCCC(=O)NO)ccc2C3=NCCN3C(NC(=O)c3ccccc3)=Nc12 |c:33,t:17| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig trachea assessed as inhibition of methacholine-induced airway smooth muscle contracti...				Citation and Details
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM581300 ((2S)-2-[(6-cyclopropoxy-5-{[(2,4- diamino-6-oxo-1,...) Show SMILES Nc1nc(N)c(NC(=O)Nc2ccc(nc2OC2CC2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To determine the IC50 value of a compound, an 11-concentration dose-response curve with 3-fold difference in concentration between assay points was g...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84GRR
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM581306 ((2S)-2-[(5-{[(2,4-diamino-6-oxo- 1,6-dihydropyrimi...) Show SMILES Nc1nc(N)c(NC(=O)Nc2cnc(C(=O)N[C@@H](CCc3nnn[nH]3)C(O)=O)c(F)c2)c(=O)[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To determine the IC50 value of a compound, an 11-concentration dose-response curve with 3-fold difference in concentration between assay points was g...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84GRR
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50512074 (CHEMBL4575813) Show SMILES ONC(=O)CCCCCCn1cc(Nc2ncc(Cl)c(Nc3ccc(Cl)cc3)n2)cn1 Show InChI InChI=1S/C20H23Cl2N7O2/c21-14-6-8-15(9-7-14)25-19-17(22)12-23-20(27-19)26-16-11-24-29(13-16)10-4-2-1-3-5-18(30)28-31/h6-9,11-13,31H,1-5,10H2,(H,28,30)(H2,23,25,26,27)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig trachea assessed as inhibition of methacholine-induced airway smooth muscle contracti...				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50410803 (CHEMBL5280359) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(C\C(=N/OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C36H37F6N5O3/c37-35(38,39)28-18-26(19-29(21-28)36(40,41)42)34(48)47-11-10-46(23-30(47)20-27-22-43-32-9-5-4-8-31(27)32)24-33(25-6-2-1-3-7-25)44-50-17-14-45-12-15-49-16-13-45/h1-9,18-19,21-22,30,43H,10-17,20,23-24H2/b44-33+/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig trachea assessed as inhibition of methacholine-induced airway smooth muscle contracti...				Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50594749 (CHEMBL5170300) Show SMILES COc1c(OCCCCCC(=O)NO)ccc2C3=NCCN3C(NC(=O)c3ccccc3)=Nc12 |c:33,t:17| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig trachea assessed as inhibition of methacholine-induced airway smooth muscle contracti...				Citation and Details
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM581317 ((2S)-2-[(5-{[(2,4-diamino-6-oxo- 1,6-dihydropyrimi...) Show SMILES Nc1nc(N)c(NC(=O)Nc2cnc(C(=O)N[C@@H](Cc3ccccc3)C(O)=O)c(F)c2)c(=O)[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To determine the IC50 value of a compound, an 11-concentration dose-response curve with 3-fold difference in concentration between assay points was g...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84GRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50410838 (CHEMBL5272716) Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)N2CCOCC2)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C32H41N5O4/c1-32(2,3)28(38)21-36-27-15-8-7-14-26(27)30(23-10-5-4-6-11-23)34-37(31(36)40)22-29(39)33-24-12-9-13-25(20-24)35-16-18-41-19-17-35/h7-9,12-15,20,23H,4-6,10-11,16-19,21-22H2,1-3H3,(H,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig trachea assessed as inhibition of methacholine-induced airway smooth muscle contracti...				Citation and Details
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM581313 ((2S)-2-[(5-{[(2,4-diamino-6-oxo- 1,6-dihydropyrimi...) Show SMILES CC(C)[C@H](NC(=O)c1ncc(NC(=O)Nc2c(N)nc(N)[nH]c2=O)cc1F)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To determine the IC50 value of a compound, an 11-concentration dose-response curve with 3-fold difference in concentration between assay points was g...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84GRR
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM581288 ((2S)-2-[(5-{[(2,4-diamino-6-oxo- 1,6-dihydropyrimi...) Show SMILES Nc1nc(N)c(NC(=O)Nc2cnc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c2)c(=O)[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To determine the IC50 value of a compound, an 11-concentration dose-response curve with 3-fold difference in concentration between assay points was g...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84GRR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50410803 (CHEMBL5280359) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(C\C(=N/OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C36H37F6N5O3/c37-35(38,39)28-18-26(19-29(21-28)36(40,41)42)34(48)47-11-10-46(23-30(47)20-27-22-43-32-9-5-4-8-31(27)32)24-33(25-6-2-1-3-7-25)44-50-17-14-45-12-15-49-16-13-45/h1-9,18-19,21-22,30,43H,10-17,20,23-24H2/b44-33+/t30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against FAAH in Wistar rat brain homogenate				Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50410804 (CHEMBL5287477) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(CC\C(=N/OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C37H39F6N5O3/c38-36(39,40)29-20-27(21-30(23-29)37(41,42)43)35(49)48-13-12-47(25-31(48)22-28-24-44-34-9-5-4-8-32(28)34)11-10-33(26-6-2-1-3-7-26)45-51-19-16-46-14-17-50-18-15-46/h1-9,20-21,23-24,31,44H,10-19,22,25H2/b45-33+/t31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against FAAH in Wistar rat brain homogenate				Citation and Details
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM581298 ((2S)-4- [(benzenesulfonyl)carbamoyl]-2- [(5-{[(2,4...) Show SMILES Nc1nc(N)c(NC(=O)Nc2ccc(nc2)C(=O)N[C@@H](CCC(=O)NS(=O)(=O)c2ccccc2)C(O)=O)c(=O)[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To determine the IC50 value of a compound, an 11-concentration dose-response curve with 3-fold difference in concentration between assay points was g...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84GRR
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM581286 ((2S)-2-[(5-{[(2,4-diamino-6-oxo- 1,6-dihydropyrimi...) Show SMILES Nc1nc(N)c(NC(=O)Nc2ccc(nc2)C(=O)N[C@@H](CCc2nnn[nH]2)C(O)=O)c(=O)[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To determine the IC50 value of a compound, an 11-concentration dose-response curve with 3-fold difference in concentration between assay points was g...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84GRR
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM581314 ((2S)-2-({5-[2-(2,4-diamino-6-oxo- 1,6-dihydropyrim...) Show SMILES Nc1nc(N)c(CC(=O)Nc2cnc(C(=O)N[C@@H](CCc3nnn[nH]3)C(O)=O)c(F)c2)c(=O)[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To determine the IC50 value of a compound, an 11-concentration dose-response curve with 3-fold difference in concentration between assay points was g...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84GRR
					More data for this Ligand-Target Pair

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