Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'matthews' and Initial = 'dp'   

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
Adenosylhomocysteinase (Mus musculus)	BDBM50280299 ((2R,3R,4S)-2-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Activity determined in mouse liver S-adenosyl-L-homocysteine hydrolase and expressed as KI values.				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50280301 ((2R,3R,4S)-2-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C\F)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1+/t6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Activity determined in mouse liver S-adenosyl-L-homocysteine hydrolase and expressed as KI values.				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50280298 ((1R,2S,3R)-3-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C\C(=C\F)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H12FN5O2/c12-2-5-1-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h2-4,6,8-9,18-19H,1H2,(H2,13,14,15)/b5-2-/t6-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for binding affinity of compound against S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 3: 165-168 (1993) Article DOI: 10.1016/S0960-894X(01)80869-6 BindingDB Entry DOI: 10.7270/Q2DR2VDD
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50368169 (CHEMBL2368687) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C([C@@H](O)[C@H]1O)=C(\F)Cl |r| Show InChI InChI=1S/C10H9ClFN5O3/c11-7(12)6-4(18)5(19)10(20-6)17-2-16-3-8(13)14-1-15-9(3)17/h1-2,4-5,10,18-19H,(H2,13,14,15)/b7-6+/t4-,5+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as Kinactivator values; NA= not applicable				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50368167 (CHEMBL3349334 | CHEMBL611905) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/Cl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H10ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as Kinactivator values; NA= not applicable				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50280301 ((2R,3R,4S)-2-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C\F)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1+/t6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as KI values.				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50368170 (CHEMBL2368677) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C([C@@H](O)[C@H]1O)=C(/F)Cl |r| Show InChI InChI=1S/C10H9ClFN5O3/c11-7(12)6-4(18)5(19)10(20-6)17-2-16-3-8(13)14-1-15-9(3)17/h1-2,4-5,10,18-19H,(H2,13,14,15)/b7-6-/t4-,5+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Competitive inhibitory activity against rat liver S-Adenosyl-homocysteine hydrolase				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50406477 (CHEMBL2051968 | CHEMBL2069133) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C\F)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/t6-,7+,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Competitive inhibitory activity against rat liver S-Adenosyl-homocysteine hydrolase				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50280299 ((2R,3R,4S)-2-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as KI values.				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50280300 ((1R,2S,3R)-3-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C\C(=C/F)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H12FN5O2/c12-2-5-1-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h2-4,6,8-9,18-19H,1H2,(H2,13,14,15)/b5-2+/t6-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for binding affinity of compound against S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 3: 165-168 (1993) Article DOI: 10.1016/S0960-894X(01)80869-6 BindingDB Entry DOI: 10.7270/Q2DR2VDD
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50368168 (CHEMBL609353) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](C(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11F2N5O3/c11-7(12)6-4(18)5(19)10(20-6)17-2-16-3-8(13)14-1-15-9(3)17/h1-2,4-7,10,18-19H,(H2,13,14,15)/t4-,5+,6-,10?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Competitive inhibitory activity against rat liver S-adenosyl-L-homocysteine hydrolase				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50368168 (CHEMBL609353) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](C(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11F2N5O3/c11-7(12)6-4(18)5(19)10(20-6)17-2-16-3-8(13)14-1-15-9(3)17/h1-2,4-7,10,18-19H,(H2,13,14,15)/t4-,5+,6-,10?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as Kinactivator values.				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50368168 (CHEMBL609353) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](C(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11F2N5O3/c11-7(12)6-4(18)5(19)10(20-6)17-2-16-3-8(13)14-1-15-9(3)17/h1-2,4-7,10,18-19H,(H2,13,14,15)/t4-,5+,6-,10?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Activity determined in mouse liver S-adenosyl-L-homocysteine hydrolase and expressed as KI values.				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50229043 (CHEMBL2051969) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7+,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Competitive inhibitory activity against rat liver S-Adenosyl-homocysteine hydrolase				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50144936 (CHEMBL1090 | VIDARABINE | adenine arabinoside) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Activity determined in mouse liver S-adenosyl-L-homocysteine hydrolase and expressed as KI values.				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50011352 (5-(6-Amino-purin-9-yl)-2-fluoromethylene-tetrahydr...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)\C(O1)=C\F Show InChI InChI=1S/C10H10FN5O2/c11-2-6-5(17)1-7(18-6)16-4-15-8-9(12)13-3-14-10(8)16/h2-5,7,17H,1H2,(H2,12,13,14)/b6-2-/t5-,7?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as Kinactivator values; NA= not applicable				J Med Chem 34: 647-56 (1991) BindingDB Entry DOI: 10.7270/Q25M6695
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50030823 (CHEMBL3342553) Show SMILES CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c1ccc(F)cc1)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C25H29FN4O5/c1-27-25(32)35-22-15-34-21-7-6-18(29-8-10-30(11-9-29)19-13-33-14-19)12-20(21)23(22)28-24(31)16-2-4-17(26)5-3-16/h2-7,12,19,22-23H,8-11,13-15H2,1H3,(H,27,32)(H,28,31)/t22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay				ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50030822 (CHEMBL3342554) Show SMILES CNC(=O)O[C@H]1CCc2ccc(cc2[C@@H]1NC(=O)c1ccc(F)cc1)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C26H31FN4O4/c1-28-26(33)35-23-9-5-17-4-8-20(30-10-12-31(13-11-30)21-15-34-16-21)14-22(17)24(23)29-25(32)18-2-6-19(27)7-3-18/h2-4,6-8,14,21,23-24H,5,9-13,15-16H2,1H3,(H,28,33)(H,29,32)/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay				ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50030823 (CHEMBL3342553) Show SMILES CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c1ccc(F)cc1)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C25H29FN4O5/c1-27-25(32)35-22-15-34-21-7-6-18(29-8-10-30(11-9-29)19-13-33-14-19)12-20(21)23(22)28-24(31)16-2-4-17(26)5-3-16/h2-7,12,19,22-23H,8-11,13-15H2,1H3,(H,27,32)(H,28,31)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay				ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin S (Homo sapiens (Human))	BDBM50030822 (CHEMBL3342554) Show SMILES CNC(=O)O[C@H]1CCc2ccc(cc2[C@@H]1NC(=O)c1ccc(F)cc1)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C26H31FN4O4/c1-28-26(33)35-23-9-5-17-4-8-20(30-10-12-31(13-11-30)21-15-34-16-21)14-22(17)24(23)29-25(32)18-2-6-19(27)7-3-18/h2-4,6-8,14,21,23-24H,5,9-13,15-16H2,1H3,(H,28,33)(H,29,32)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay				ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195711 (3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((...) Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)Oc2cnccn2)c1)-c1ccccc1 Show InChI InChI=1S/C27H26N4O6/c1-18-23(31-26(36-18)20-5-3-2-4-6-20)11-14-35-22-9-7-19(8-10-25(32)33)21(15-22)16-30-27(34)37-24-17-28-12-13-29-24/h2-7,9,12-13,15,17H,8,10-11,14,16H2,1H3,(H,30,34)(H,32,33)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195708 (3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...) Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(sc2C)N2CCOCC2)ccc1CCC(O)=O Show InChI InChI=1S/C24H33N3O6S/c1-16(2)33-24(30)25-15-19-14-20(6-4-18(19)5-7-22(28)29)32-11-8-21-17(3)34-23(26-21)27-9-12-31-13-10-27/h4,6,14,16H,5,7-13,15H2,1-3H3,(H,25,30)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195714 (3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...) Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccccc2)ccc1CCC(O)=O Show InChI InChI=1S/C26H30N2O6/c1-17(2)33-26(31)27-16-21-15-22(11-9-19(21)10-12-24(29)30)32-14-13-23-18(3)34-25(28-23)20-7-5-4-6-8-20/h4-9,11,15,17H,10,12-14,16H2,1-3H3,(H,27,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195716 (3-{4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...) Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)Oc2cnccn2)c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C33H30N4O6/c1-22-29(37-32(42-22)26-9-7-24(8-10-26)23-5-3-2-4-6-23)15-18-41-28-13-11-25(12-14-31(38)39)27(19-28)20-36-33(40)43-30-21-34-16-17-35-30/h2-11,13,16-17,19,21H,12,14-15,18,20H2,1H3,(H,36,40)(H,38,39)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195702 (3-[4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...) Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)ccc1CCC(O)=O Show InChI InChI=1S/C32H34N2O6/c1-21(2)39-32(37)33-20-27-19-28(15-13-25(27)14-16-30(35)36)38-18-17-29-22(3)40-31(34-29)26-11-9-24(10-12-26)23-7-5-4-6-8-23/h4-13,15,19,21H,14,16-18,20H2,1-3H3,(H,33,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195715 (3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...) Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(Oc3ccccc3)cc2)ccc1CCC(O)=O Show InChI InChI=1S/C32H34N2O7/c1-21(2)39-32(37)33-20-25-19-28(15-9-23(25)12-16-30(35)36)38-18-17-29-22(3)40-31(34-29)24-10-13-27(14-11-24)41-26-7-5-4-6-8-26/h4-11,13-15,19,21H,12,16-18,20H2,1-3H3,(H,33,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195713 (3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...) Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ncccn2)ccc1CCC(O)=O Show InChI InChI=1S/C30H32N4O6/c1-19(2)39-30(37)33-18-24-17-25(11-9-21(24)10-12-27(35)36)38-16-13-26-20(3)40-29(34-26)23-7-5-22(6-8-23)28-31-14-4-15-32-28/h4-9,11,14-15,17,19H,10,12-13,16,18H2,1-3H3,(H,33,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195711 (3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((...) Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)Oc2cnccn2)c1)-c1ccccc1 Show InChI InChI=1S/C27H26N4O6/c1-18-23(31-26(36-18)20-5-3-2-4-6-20)11-14-35-22-9-7-19(8-10-25(32)33)21(15-22)16-30-27(34)37-24-17-28-12-13-29-24/h2-7,9,12-13,15,17H,8,10-11,14,16H2,1H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195707 (3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((...) Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNS(=O)(=O)Cc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C29H30N2O6S/c1-21-27(31-29(37-21)24-10-6-3-7-11-24)16-17-36-26-14-12-23(13-15-28(32)33)25(18-26)19-30-38(34,35)20-22-8-4-2-5-9-22/h2-12,14,18,30H,13,15-17,19-20H2,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195710 (3-(2-((benzyloxycarbonyl)methyl)-4-(2-(5-methyl-2-...) Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)OCc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C30H30N2O6/c1-21-27(32-29(38-21)24-10-6-3-7-11-24)16-17-36-26-14-12-23(13-15-28(33)34)25(18-26)19-31-30(35)37-20-22-8-4-2-5-9-22/h2-12,14,18H,13,15-17,19-20H2,1H3,(H,31,35)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50015622 (1-(2-Thiophen-2-yl-ethyl)-1,3-dihydro-imidazole-2-...) Show SMILES S=c1[nH]ccn1CCc1cccs1 Show InChI InChI=1S/C9H10N2S2/c12-9-10-4-6-11(9)5-3-8-2-1-7-13-8/h1-2,4,6-7H,3,5H2,(H,10,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine adrenal dopamine beta-hydroxylase(DBH)				J Med Chem 33: 1866-73 (1990) BindingDB Entry DOI: 10.7270/Q2W094XV
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50015620 (1-(2-Thiophen-3-yl-ethyl)-1,3-dihydro-imidazole-2-...) Show SMILES S=c1[nH]ccn1CCc1ccsc1 Show InChI InChI=1S/C9H10N2S2/c12-9-10-3-5-11(9)4-1-8-2-6-13-7-8/h2-3,5-7H,1,4H2,(H,10,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine adrenal dopamine beta-hydroxylase(DBH)				J Med Chem 33: 1866-73 (1990) BindingDB Entry DOI: 10.7270/Q2W094XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195714 (3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...) Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccccc2)ccc1CCC(O)=O Show InChI InChI=1S/C26H30N2O6/c1-17(2)33-26(31)27-16-21-15-22(11-9-19(21)10-12-24(29)30)32-14-13-23-18(3)34-25(28-23)20-7-5-4-6-8-20/h4-9,11,15,17H,10,12-14,16H2,1-3H3,(H,27,31)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195712 (3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((...) Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)CCc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C31H32N2O5/c1-22-28(33-31(38-22)25-10-6-3-7-11-25)18-19-37-27-15-13-24(14-17-30(35)36)26(20-27)21-32-29(34)16-12-23-8-4-2-5-9-23/h2-11,13,15,20H,12,14,16-19,21H2,1H3,(H,32,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014983 (1-(3,5-Difluoro-benzyl)-1,3-dihydro-imidazole-2-th...) Show SMILES Fc1cc(F)cc(Cn2cc[nH]c2=S)c1 Show InChI InChI=1S/C10H8F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h1-5H,6H2,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine adrenal dopamine beta-hydroxylase(DBH)				J Med Chem 33: 1866-73 (1990) BindingDB Entry DOI: 10.7270/Q2W094XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195710 (3-(2-((benzyloxycarbonyl)methyl)-4-(2-(5-methyl-2-...) Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)OCc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C30H30N2O6/c1-21-27(32-29(38-21)24-10-6-3-7-11-24)16-17-36-26-14-12-23(13-15-28(33)34)25(18-26)19-31-30(35)37-20-22-8-4-2-5-9-22/h2-12,14,18H,13,15-17,19-20H2,1H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	441	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195716 (3-{4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...) Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)Oc2cnccn2)c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C33H30N4O6/c1-22-29(37-32(42-22)26-9-7-24(8-10-26)23-5-3-2-4-6-23)15-18-41-28-13-11-25(12-14-31(38)39)27(19-28)20-36-33(40)43-30-21-34-16-17-35-30/h2-11,13,16-17,19,21H,12,14-15,18,20H2,1H3,(H,36,40)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	449	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50015617 (1-[2-(5-Methyl-thiophen-2-yl)-ethyl]-1,3-dihydro-i...) Show SMILES Cc1ccc(CCn2cc[nH]c2=S)s1 Show InChI InChI=1S/C10H12N2S2/c1-8-2-3-9(14-8)4-6-12-7-5-11-10(12)13/h2-3,5,7H,4,6H2,1H3,(H,11,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	491	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine adrenal dopamine beta-hydroxylase(DBH)				J Med Chem 33: 1866-73 (1990) BindingDB Entry DOI: 10.7270/Q2W094XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195715 (3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...) Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(Oc3ccccc3)cc2)ccc1CCC(O)=O Show InChI InChI=1S/C32H34N2O7/c1-21(2)39-32(37)33-20-25-19-28(15-9-23(25)12-16-30(35)36)38-18-17-29-22(3)40-31(34-29)24-10-13-27(14-11-24)41-26-7-5-4-6-8-26/h4-11,13-15,19,21H,12,16-18,20H2,1-3H3,(H,33,37)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	516	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195709 (3-(2-((3-benzylureido)methyl)-4-(2-(5-methyl-2-phe...) Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)NCc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C30H31N3O5/c1-21-27(33-29(38-21)24-10-6-3-7-11-24)16-17-37-26-14-12-23(13-15-28(34)35)25(18-26)20-32-30(36)31-19-22-8-4-2-5-9-22/h2-12,14,18H,13,15-17,19-20H2,1H3,(H,34,35)(H2,31,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	706	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50015621 (1-(5-Chloro-thiophen-2-ylmethyl)-1,3-dihydro-imida...) Show SMILES Clc1ccc(Cn2cc[nH]c2=S)s1 Show InChI InChI=1S/C8H7ClN2S2/c9-7-2-1-6(13-7)5-11-4-3-10-8(11)12/h1-4H,5H2,(H,10,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine adrenal dopamine beta-hydroxylase(DBH)				J Med Chem 33: 1866-73 (1990) BindingDB Entry DOI: 10.7270/Q2W094XV
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50030816 (CHEMBL3342550) Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1CCCc2ccc(cc12)\N=C\N1CCCCCC1 |r| Show InChI InChI=1S/C24H28BrN3O/c25-20-11-8-19(9-12-20)24(29)27-23-7-5-6-18-10-13-21(16-22(18)23)26-17-28-14-3-1-2-4-15-28/h8-13,16-17,23H,1-7,14-15H2,(H,27,29)/b26-17+/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay				ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50030817 (CHEMBL3342551) Show SMILES CN1CCN(CC1)C(=O)Nc1ccc2CCCC(NC(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C23H28N4O2/c1-26-12-14-27(15-13-26)23(29)24-19-11-10-17-8-5-9-21(20(17)16-19)25-22(28)18-6-3-2-4-7-18/h2-4,6-7,10-11,16,21H,5,8-9,12-15H2,1H3,(H,24,29)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay				ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195708 (3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...) Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(sc2C)N2CCOCC2)ccc1CCC(O)=O Show InChI InChI=1S/C24H33N3O6S/c1-16(2)33-24(30)25-15-19-14-20(6-4-18(19)5-7-22(28)29)32-11-8-21-17(3)34-23(26-21)27-9-12-31-13-10-27/h4,6,14,16H,5,7-13,15H2,1-3H3,(H,25,30)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50030816 (CHEMBL3342550) Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1CCCc2ccc(cc12)\N=C\N1CCCCCC1 |r| Show InChI InChI=1S/C24H28BrN3O/c25-20-11-8-19(9-12-20)24(29)27-23-7-5-6-18-10-13-21(16-22(18)23)26-17-28-14-3-1-2-4-15-28/h8-13,16-17,23H,1-7,14-15H2,(H,27,29)/b26-17+/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay				ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50015619 (1-(3-Thiophen-2-yl-propyl)-1,3-dihydro-imidazole-2...) Show SMILES S=c1[nH]ccn1CCCc1cccs1 Show InChI InChI=1S/C10H12N2S2/c13-10-11-5-7-12(10)6-1-3-9-4-2-8-14-9/h2,4-5,7-8H,1,3,6H2,(H,11,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine adrenal dopamine beta-hydroxylase(DBH)				J Med Chem 33: 1866-73 (1990) BindingDB Entry DOI: 10.7270/Q2W094XV
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50030817 (CHEMBL3342551) Show SMILES CN1CCN(CC1)C(=O)Nc1ccc2CCCC(NC(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C23H28N4O2/c1-26-12-14-27(15-13-26)23(29)24-19-11-10-17-8-5-9-21(20(17)16-19)25-22(28)18-6-3-2-4-7-18/h2-4,6-7,10-11,16,21H,5,8-9,12-15H2,1H3,(H,24,29)(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay				ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50241379 ((enoximone)4-Methyl-5-(4-methylsulfanyl-benzoyl)-1...) Show SMILES CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C Show InChI InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of canine heart Phosphodiesterase 4				J Med Chem 33: 317-27 (1990) BindingDB Entry DOI: 10.7270/Q27S7R0G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195707 (3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((...) Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNS(=O)(=O)Cc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C29H30N2O6S/c1-21-27(31-29(37-21)24-10-6-3-7-11-24)16-17-36-26-14-12-23(13-15-28(32)33)25(18-26)19-30-38(34,35)20-22-8-4-2-5-9-22/h2-12,14,18,30H,13,15-17,19-20H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha				Bioorg Med Chem Lett 16: 6328-33 (2006) Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC
					More data for this Ligand-Target Pair

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