Compile Data Set for Download or QSAR

Found 788 hits with Last Name = 'nakano' and Initial = 'y'   

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
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50458516 (CHEMBL4210652) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527166 (CHEMBL4589666) Show SMILES FC(F)(F)c1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C13H14ClF3N2O4S/c14-8-12(20)18-9-1-2-10(13(15,16)17)11(7-9)24(21,22)19-3-5-23-6-4-19/h1-2,7H,3-6,8H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50170576 (1-(4-{1-[4-(2,3-Dihydroxy-propylamino)-3-methyl-ph...) Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 Show InChI InChI=1S/C28H41NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,29-31H,8-9,16-18H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone				Bioorg Med Chem Lett 15: 4327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.06.044 BindingDB Entry DOI: 10.7270/Q2SX6CS6
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527182 (CHEMBL4458115) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1C(F)(F)F Show InChI InChI=1S/C11H12ClF3N2O3S/c1-17(2)21(19,20)9-5-7(16-10(18)6-12)3-4-8(9)11(13,14)15/h3-5H,6H2,1-2H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50170573 (3-(4-{1-Ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)...) Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 Show InChI InChI=1S/C28H43NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,26,29-32H,8-9,16-18H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone				Bioorg Med Chem Lett 15: 4327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.06.044 BindingDB Entry DOI: 10.7270/Q2SX6CS6
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527163 (CHEMBL4445050) Show SMILES COCCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C11H14Cl2N2O4S/c1-19-5-4-14-20(17,18)10-6-8(2-3-9(10)13)15-11(16)7-12/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50170578 (1-(4-{1-Ethyl-1-[4-(3-hydroxy-3-methyl-butylamino)...) Show SMILES CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 Show InChI InChI=1S/C30H45NO3/c1-10-30(11-2,23-12-14-25(21(3)18-23)31-17-16-29(8,9)33)24-13-15-26(22(4)19-24)34-20-27(32)28(5,6)7/h12-15,18-19,31,33H,10-11,16-17,20H2,1-9H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone				Bioorg Med Chem Lett 15: 4327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.06.044 BindingDB Entry DOI: 10.7270/Q2SX6CS6
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50170582 (4-(4-{1-Ethyl-1-[4-(3-hydroxy-3-methyl-butylamino)...) Show SMILES CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(NCCC(C)(C)O)c(C)c1 Show InChI InChI=1S/C29H46N2O2/c1-9-29(10-2,23-11-13-25(21(3)19-23)30-17-15-27(5,6)32)24-12-14-26(22(4)20-24)31-18-16-28(7,8)33/h11-14,19-20,30-33H,9-10,15-18H2,1-8H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone				Bioorg Med Chem Lett 15: 4327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.06.044 BindingDB Entry DOI: 10.7270/Q2SX6CS6
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527184 (CHEMBL4454026) Show SMILES CC(C)NS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527185 (CHEMBL4580168) Show SMILES CN(C)S(=O)(=O)c1cc(ccc1Cl)C1CO1 Show InChI InChI=1S/C10H12ClNO3S/c1-12(2)16(13,14)10-5-7(9-6-15-9)3-4-8(10)11/h3-5,9H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527167 (CHEMBL4445668) Show SMILES ClCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527162 (CHEMBL4458365) Show SMILES COCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527165 (CHEMBL4554461) Show SMILES CN(C)S(=O)(=O)c1cc(CS(F)(=O)=O)ccc1Cl Show InChI InChI=1S/C9H11ClFNO4S2/c1-12(2)18(15,16)9-5-7(3-4-8(9)10)6-17(11,13)14/h3-5H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527169 (CHEMBL4437777) Show SMILES COCCCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C12H16Cl2N2O4S/c1-20-6-2-5-15-21(18,19)11-7-9(3-4-10(11)14)16-12(17)8-13/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451408 (US10710967, Example 2) Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(-c2ccsc2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C21H19ClN4O2S/c1-21(2,3)20(28)24-10-12-4-5-16(22)14(8-12)18-25-17(13-6-7-29-11-13)15(9-23)19(27)26-18/h4-8,11H,10H2,1-3H3,(H,24,28)(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451407 (US10710967, Example 1) Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(-c2ccc(Cl)cc2F)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C23H19Cl2FN4O2/c1-23(2,3)22(32)28-11-12-4-7-17(25)15(8-12)20-29-19(16(10-27)21(31)30-20)14-6-5-13(24)9-18(14)26/h4-9H,11H2,1-3H3,(H,28,32)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451438 (US10710967, Example 20) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(OC(F)F)cc1 Show InChI InChI=1S/C22H20ClF2N3O3/c1-12(2)21(30)26-11-13-3-8-17(23)16(9-13)20-27-18(10-19(29)28-20)14-4-6-15(7-5-14)31-22(24)25/h3-10,12,22H,11H2,1-2H3,(H,26,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451477 (US10710967, Example 74) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(cc1)C1CC1 Show InChI InChI=1S/C24H24ClN3O2/c1-14(2)24(30)26-13-15-3-10-20(25)19(11-15)23-27-21(12-22(29)28-23)18-8-6-17(7-9-18)16-4-5-16/h3,6-12,14,16H,4-5,13H2,1-2H3,(H,26,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451427 (US10710967, Example 22) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1sccc1F Show InChI InChI=1S/C19H17ClFN3O2S/c1-10(2)19(26)22-9-11-3-4-13(20)12(7-11)18-23-15(8-16(25)24-18)17-14(21)5-6-27-17/h3-8,10H,9H2,1-2H3,(H,22,26)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451447 (US10710967, Example 43) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1cnc(s1)C(F)(F)F Show InChI InChI=1S/C19H16ClF3N4O2S/c1-9(2)17(29)24-7-10-3-4-12(20)11(5-10)16-26-13(6-15(28)27-16)14-8-25-18(30-14)19(21,22)23/h3-6,8-9H,7H2,1-2H3,(H,24,29)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451418 (US10710967, Example 12) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C21H18ClF3N4O2/c1-11(2)20(31)27-9-12-3-5-15(22)14(7-12)19-28-17(8-18(30)29-19)16-6-4-13(10-26-16)21(23,24)25/h3-8,10-11H,9H2,1-2H3,(H,27,31)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451429 (US10710967, Example 24) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H19ClF3N3O3/c1-12(2)21(31)27-11-13-3-8-17(23)16(9-13)20-28-18(10-19(30)29-20)14-4-6-15(7-5-14)32-22(24,25)26/h3-10,12H,11H2,1-2H3,(H,27,31)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50383116 (CHEMBL2031736) Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H26ClN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting				J Med Chem 55: 2353-66 (2012) Article DOI: 10.1021/jm201596h BindingDB Entry DOI: 10.7270/Q2GH9JZQ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451413 (US10710967, Example 7) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C20H18Cl2N4O2/c1-11(2)20(28)24-9-12-3-5-15(22)14(7-12)19-25-17(8-18(27)26-19)16-6-4-13(21)10-23-16/h3-8,10-11H,9H2,1-2H3,(H,24,28)(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451409 (US10710967, Example 3) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(-c2ccsc2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C20H17ClN4O2S/c1-11(2)19(26)23-9-12-3-4-16(21)14(7-12)18-24-17(13-5-6-28-10-13)15(8-22)20(27)25-18/h3-7,10-11H,9H2,1-2H3,(H,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Gallus gallus)	BDBM50145539 ((2S,4R)-2,4-Dihydroxy-6-[2-[(R)-1-((R)-5-hydroxy-1...) Show SMILES C[C@H](CCCC(C)(C)O)C1CCC2C(CCC[C@]12C)=CCC1C[C@@H](O)CC(=O)C1=O |w:19.21| Show InChI InChI=1S/C26H42O4/c1-17(7-5-13-25(2,3)30)21-11-12-22-18(8-6-14-26(21,22)4)9-10-19-15-20(27)16-23(28)24(19)29/h9,17,19-22,27,30H,5-8,10-16H2,1-4H3/t17-,19?,20-,21?,22?,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1				Bioorg Med Chem Lett 14: 2579-83 (2004) Article DOI: 10.1016/j.bmcl.2004.02.076 BindingDB Entry DOI: 10.7270/Q20C4V6Z
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50383114 (CHEMBL2031734) Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C Show InChI InChI=1S/C29H29N3O2/c1-20-27(14-11-25-17-21(18-30-28(20)25)19-32-15-3-4-16-32)31-29(33)24-7-5-22(6-8-24)23-9-12-26(34-2)13-10-23/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting				J Med Chem 55: 2353-66 (2012) Article DOI: 10.1021/jm201596h BindingDB Entry DOI: 10.7270/Q2GH9JZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50351324 (CHEMBL1818901) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22| Show InChI InChI=1S/C28H27FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human 5HT2C receptor expressed in CHO cells after 1 hr by scintillation counting				J Med Chem 55: 2353-66 (2012) Article DOI: 10.1021/jm201596h BindingDB Entry DOI: 10.7270/Q2GH9JZQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50383112 (CHEMBL2029372) Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H26FN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting				J Med Chem 55: 4336-51 (2012) Article DOI: 10.1021/jm300167z BindingDB Entry DOI: 10.7270/Q2JS9RHR
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50383112 (CHEMBL2029372) Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H26FN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting				J Med Chem 55: 2353-66 (2012) Article DOI: 10.1021/jm201596h BindingDB Entry DOI: 10.7270/Q2GH9JZQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50383096 (CHEMBL2031716) Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1 Show InChI InChI=1S/C27H24ClN3O/c28-24-10-7-21(8-11-24)20-3-5-22(6-4-20)27(32)30-25-12-9-23-15-19(17-29-26(23)16-25)18-31-13-1-2-14-31/h3-12,15-17H,1-2,13-14,18H2,(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting				J Med Chem 55: 2353-66 (2012) Article DOI: 10.1021/jm201596h BindingDB Entry DOI: 10.7270/Q2GH9JZQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50383091 (CHEMBL2031573) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)ccc2c1 Show InChI InChI=1S/C28H25FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h3-14,17-18H,1-2,15-16,19H2,(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting				J Med Chem 55: 2353-66 (2012) Article DOI: 10.1021/jm201596h BindingDB Entry DOI: 10.7270/Q2GH9JZQ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451449 (US10710967, Example 45) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(OC(F)F)nc1 Show InChI InChI=1S/C21H19ClF2N4O3/c1-11(2)20(30)26-9-12-3-5-15(22)14(7-12)19-27-16(8-17(29)28-19)13-4-6-18(25-10-13)31-21(23)24/h3-8,10-11,21H,9H2,1-2H3,(H,26,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451558 (US10710967, Example 157) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1F)-c1nc(cc(=O)[nH]1)-c1ccc(OCC2CC2)nc1 Show InChI InChI=1S/C24H24ClFN4O3/c1-13(2)24(32)28-11-16-5-7-17(25)21(22(16)26)23-29-18(9-19(31)30-23)15-6-8-20(27-10-15)33-12-14-3-4-14/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,28,32)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451423 (US10710967, Example 17) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(OC(F)(F)F)cc1F Show InChI InChI=1S/C22H18ClF4N3O3/c1-11(2)21(32)28-10-12-3-6-16(23)15(7-12)20-29-18(9-19(31)30-20)14-5-4-13(8-17(14)24)33-22(25,26)27/h3-9,11H,10H2,1-2H3,(H,28,32)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451426 (US10710967, Example 21) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H19ClF3N3O2/c1-12(2)21(31)27-11-13-3-8-17(23)16(9-13)20-28-18(10-19(30)29-20)14-4-6-15(7-5-14)22(24,25)26/h3-10,12H,11H2,1-2H3,(H,27,31)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50383092 (CHEMBL2031574) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)COc2c1 |t:22| Show InChI InChI=1S/C27H25FN2O2/c28-24-10-7-21(8-11-24)20-3-5-22(6-4-20)27(31)29-25-12-9-23-15-19(18-32-26(23)16-25)17-30-13-1-2-14-30/h3-12,15-16H,1-2,13-14,17-18H2,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting				J Med Chem 55: 2353-66 (2012) Article DOI: 10.1021/jm201596h BindingDB Entry DOI: 10.7270/Q2GH9JZQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50383107 (CHEMBL2031727) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1F Show InChI InChI=1S/C27H23F2N3O/c28-23-10-7-20(8-11-23)19-3-5-21(6-4-19)27(33)31-24-12-9-22-15-18(16-30-26(22)25(24)29)17-32-13-1-2-14-32/h3-12,15-16H,1-2,13-14,17H2,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting				J Med Chem 55: 2353-66 (2012) Article DOI: 10.1021/jm201596h BindingDB Entry DOI: 10.7270/Q2GH9JZQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50357496 (CHEMBL1914623) Show SMILES CN1CCc2ccc(cc2CC1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H33ClN2O/c1-28-15-10-21-4-5-24(19-23(21)11-16-28)26(30)3-2-14-29-17-12-22(13-18-29)20-6-8-25(27)9-7-20/h4-9,19,22H,2-3,10-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-MCH(4-19) from human MCHR1 expressed in CHO cells				Bioorg Med Chem 19: 6261-73 (2011) Article DOI: 10.1016/j.bmc.2011.09.007 BindingDB Entry DOI: 10.7270/Q26T0N2H
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451642 (US10710967, Example 240) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1F)-c1nc(cc(=O)[nH]1)-c1nc(cs1)C#CC1CC1 Show InChI InChI=1S/C23H20ClFN4O2S/c1-12(2)22(31)26-10-14-6-8-16(24)19(20(14)25)21-28-17(9-18(30)29-21)23-27-15(11-32-23)7-5-13-3-4-13/h6,8-9,11-13H,3-4,10H2,1-2H3,(H,26,31)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451657 (US10710967, Example 255) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1F)-c1nc(cc(=O)[nH]1)-c1ccc(cn1)C#CC1CC1 Show InChI InChI=1S/C25H22ClFN4O2/c1-14(2)25(33)29-13-17-8-9-18(26)22(23(17)27)24-30-20(11-21(32)31-24)19-10-7-16(12-28-19)6-5-15-3-4-15/h7-12,14-15H,3-4,13H2,1-2H3,(H,29,33)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451658 (US10710967, Example 256) Show SMILES CC#Cc1ccc(cn1)-c1cc(=O)[nH]c(n1)-c1c(Cl)ccc(CNC(=O)C(C)C)c1F Show InChI InChI=1S/C23H20ClFN4O2/c1-4-5-16-8-6-14(11-26-16)18-10-19(30)29-22(28-18)20-17(24)9-7-15(21(20)25)12-27-23(31)13(2)3/h6-11,13H,12H2,1-3H3,(H,27,31)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451665 (US10710967, Example 263) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1F)-c1nc(cc(=O)[nH]1)-c1nc2ccccc2s1 Show InChI InChI=1S/C22H18ClFN4O2S/c1-11(2)21(30)25-10-12-7-8-13(23)18(19(12)24)20-26-15(9-17(29)28-20)22-27-14-5-3-4-6-16(14)31-22/h3-9,11H,10H2,1-2H3,(H,25,30)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451668 (US10710967, Example 266) Show SMILES CC(C)OCCOc1ccc(cn1)-c1cc(=O)[nH]c(n1)-c1c(F)ccc(CNC(=O)C(C)C)c1F Show InChI InChI=1S/C25H28F2N4O4/c1-14(2)25(33)29-13-17-5-7-18(26)22(23(17)27)24-30-19(11-20(32)31-24)16-6-8-21(28-12-16)35-10-9-34-15(3)4/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,29,33)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451683 (US10710967, Example 278) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1F)-c1nc(cc(=O)[nH]1)-c1ccc(OCCOCC(F)(F)F)nc1 Show InChI InChI=1S/C24H23ClF4N4O4/c1-13(2)23(35)31-11-15-3-5-16(25)20(21(15)26)22-32-17(9-18(34)33-22)14-4-6-19(30-10-14)37-8-7-36-12-24(27,28)29/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,31,35)(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451508 (US10710967, Example 105) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(OCC2CC2)nc1 Show InChI InChI=1S/C24H25ClN4O3/c1-14(2)24(31)27-11-16-5-7-19(25)18(9-16)23-28-20(10-21(30)29-23)17-6-8-22(26-12-17)32-13-15-3-4-15/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H,27,31)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451529 (US10710967, Example 127) Show SMILES CC(C)C(=O)NCc1ccc(c(c1)-c1nc(cc(=O)[nH]1)-c1cncc(C)c1)C(F)(F)F Show InChI InChI=1S/C22H21F3N4O2/c1-12(2)21(31)27-10-14-4-5-17(22(23,24)25)16(7-14)20-28-18(8-19(30)29-20)15-6-13(3)9-26-11-15/h4-9,11-12H,10H2,1-3H3,(H,27,31)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451563 (US10710967, Example 162) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1F)-c1nc(cc(=O)[nH]1)-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C21H17ClF4N4O2/c1-10(2)20(32)28-8-11-3-5-13(22)17(18(11)23)19-29-15(7-16(31)30-19)14-6-4-12(9-27-14)21(24,25)26/h3-7,9-10H,8H2,1-2H3,(H,28,32)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM451579 (US10710967, Example 178) Show SMILES CC(C)C(=O)NCc1ccc(F)c(c1Cl)-c1nc(cc(=O)[nH]1)-c1ccc(OCC(F)F)nc1 Show InChI InChI=1S/C22H20ClF3N4O3/c1-11(2)22(32)28-9-13-3-5-14(24)19(20(13)23)21-29-15(7-17(31)30-21)12-4-6-18(27-8-12)33-10-16(25)26/h3-8,11,16H,9-10H2,1-2H3,(H,28,32)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ASKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...				US Patent US10710967 (2020) BindingDB Entry DOI: 10.7270/Q2NZ8BP9
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50383115 (CHEMBL2031735) Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C Show InChI InChI=1S/C29H29N3O/c1-20-5-7-23(8-6-20)24-9-11-25(12-10-24)29(33)31-27-14-13-26-17-22(18-30-28(26)21(27)2)19-32-15-3-4-16-32/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting				J Med Chem 55: 2353-66 (2012) Article DOI: 10.1021/jm201596h BindingDB Entry DOI: 10.7270/Q2GH9JZQ
					More data for this Ligand-Target Pair

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