Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'dahllöf' and Initial = 'h'   

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
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]AZD9272 from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315131 ((2R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...) Show SMILES CC(Cc1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C)C(O)=O Show InChI InChI=1S/C29H31ClN2O3/c1-18(29(34)35)14-23-8-5-9-26(19(23)2)32-28(33)27(21-6-3-4-7-21)22-12-10-20(11-13-22)24-15-25(30)17-31-16-24/h5,8-13,15-18,21,27H,3-4,6-7,14H2,1-2H3,(H,32,33)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.188	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of rat recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracellu...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314872 ((−) 3-{3-[(Cyclopentyl{3-fluoro-4-[5-(triflu...) Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cncc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F4N2O3/c1-17-18(10-12-26(36)37)7-4-8-25(17)35-28(38)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(16-34-15-21)29(31,32)33/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,35,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of rat recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracellu...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315173 ((3R/S)-3-(3-{[(2R/S)-2-Cyclopentyl-2-{3-fluoro-4-[...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C30H30F4N2O3/c1-17(12-27(37)38)23-8-5-9-26(18(23)2)36-29(39)28(19-6-3-4-7-19)20-10-11-24(25(31)14-20)21-13-22(16-35-15-21)30(32,33)34/h5,8-11,13-17,19,28H,3-4,6-7,12H2,1-2H3,(H,36,39)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.49	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315178 ((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloro-6-methylpyridi...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cnc(C)c(Cl)c2)c1C Show InChI InChI=1S/C30H32ClFN2O3/c1-17(13-28(35)36)23-9-6-10-27(18(23)2)34-30(37)29(20-7-4-5-8-20)21-11-12-24(26(32)15-21)22-14-25(31)19(3)33-16-22/h6,9-12,14-17,20,29H,4-5,7-8,13H2,1-3H3,(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.06	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315183 ((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)-3...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(Cl)c2)c1C Show InChI InChI=1S/C29H30ClFN2O3/c1-17(12-27(34)35)23-8-5-9-26(18(23)2)33-29(36)28(19-6-3-4-7-19)20-10-11-24(25(31)14-20)21-13-22(30)16-32-15-21/h5,8-11,13-17,19,28H,3-4,6-7,12H2,1-2H3,(H,33,36)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315251 (3-(3-{[(2R)-2-cyclopentyl-2-{4-[6-methyl-5-(triflu...) Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cnc(C)c(c2)C(F)(F)F)c1C Show InChI InChI=1S/C32H34F4N2O3/c1-4-20(16-29(39)40)24-10-7-11-28(18(24)2)38-31(41)30(21-8-5-6-9-21)22-12-13-25(27(33)15-22)23-14-26(32(34,35)36)19(3)37-17-23/h7,10-15,17,20-21,30H,4-6,8-9,16H2,1-3H3,(H,38,41)(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.57	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315244 (3-[3-({cyclopentyl[3-fluoro-4-(5-isobutylpyridin-3...) Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(CC(C)C)c2)c1C Show InChI InChI=1S/C34H41FN2O3/c1-5-24(18-32(38)39)28-11-8-12-31(22(28)4)37-34(40)33(25-9-6-7-10-25)26-13-14-29(30(35)17-26)27-16-23(15-21(2)3)19-36-20-27/h8,11-14,16-17,19-21,24-25,33H,5-7,9-10,15,18H2,1-4H3,(H,37,40)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.82	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315188 ((3R/S)-3-(3-{[(2R/S)-2-Cyclobutyl-2-{4-[5-(trifluo...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCC2)c2ccc(cc2)-c2cncc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C29H29F3N2O3/c1-17(13-26(35)36)24-7-4-8-25(18(24)2)34-28(37)27(20-5-3-6-20)21-11-9-19(10-12-21)22-14-23(16-33-15-22)29(30,31)32/h4,7-12,14-17,20,27H,3,5-6,13H2,1-2H3,(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.59	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315143 ((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C Show InChI InChI=1S/C29H31ClN2O3/c1-18(14-27(33)34)25-8-5-9-26(19(25)2)32-29(35)28(21-6-3-4-7-21)22-12-10-20(11-13-22)23-15-24(30)17-31-16-23/h5,8-13,15-18,21,28H,3-4,6-7,14H2,1-2H3,(H,32,35)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315143 ((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C Show InChI InChI=1S/C29H31ClN2O3/c1-18(14-27(33)34)25-8-5-9-26(19(25)2)32-29(35)28(21-6-3-4-7-21)22-12-10-20(11-13-22)23-15-24(30)17-31-16-23/h5,8-13,15-18,21,28H,3-4,6-7,14H2,1-2H3,(H,32,35)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.67	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314852 ((−) {3-[(Cyclopentyl{4-[5-(trifluoromethyl)p...) Show SMILES Cc1c(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(c2)C(F)(F)F)cccc1OCC(O)=O Show InChI InChI=1S/C28H27F3N2O4/c1-17-23(7-4-8-24(17)37-16-25(34)35)33-27(36)26(19-5-2-3-6-19)20-11-9-18(10-12-20)21-13-22(15-32-14-21)28(29,30)31/h4,7-15,19,26H,2-3,5-6,16H2,1H3,(H,33,36)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.85	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315256 ((−) 3-{3-[(cyclobutyl{3-fluoro-4-[6-methyl-5...) Show SMILES Cc1ncc(cc1C(F)(F)F)-c1ccc(cc1F)C(C1CCC1)C(=O)Nc1cccc(CCC(O)=O)c1C Show InChI InChI=1S/C29H28F4N2O3/c1-16-18(10-12-26(36)37)5-4-8-25(16)35-28(38)27(19-6-3-7-19)20-9-11-22(24(30)14-20)21-13-23(29(31,32)33)17(2)34-15-21/h4-5,8-9,11,13-15,19,27H,3,6-7,10,12H2,1-2H3,(H,35,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.1	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315252 (3-[3-({(2R)-2-cyclopentyl-2-[4-(5-isobutylpyridin-...) Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(CC(C)C)c2)c1C |r| Show InChI InChI=1S/C34H42N2O3/c1-5-25(19-32(37)38)30-11-8-12-31(23(30)4)36-34(39)33(27-9-6-7-10-27)28-15-13-26(14-16-28)29-18-24(17-22(2)3)20-35-21-29/h8,11-16,18,20-22,25,27,33H,5-7,9-10,17,19H2,1-4H3,(H,36,39)(H,37,38)/t25?,33-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.4	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315245 (3-[3-({cyclopentyl[4-(5-ethylpyridin-3-yl)-3-fluor...) Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(CC)c2)c1C Show InChI InChI=1S/C32H37FN2O3/c1-4-21-15-25(19-34-18-21)27-14-13-24(16-28(27)33)31(23-9-6-7-10-23)32(38)35-29-12-8-11-26(20(29)3)22(5-2)17-30(36)37/h8,11-16,18-19,22-23,31H,4-7,9-10,17H2,1-3H3,(H,35,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315157 ((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...) Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C Show InChI InChI=1S/C30H33ClN2O3/c1-3-20(16-28(34)35)26-9-6-10-27(19(26)2)33-30(36)29(22-7-4-5-8-22)23-13-11-21(12-14-23)24-15-25(31)18-32-17-24/h6,9-15,17-18,20,22,29H,3-5,7-8,16H2,1-2H3,(H,33,36)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315207 (((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)-...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCC2)c2ccc(c(F)c2)-c2cncc(Cl)c2)c1C Show InChI InChI=1S/C28H28ClFN2O3/c1-16(11-26(33)34)22-7-4-8-25(17(22)2)32-28(35)27(18-5-3-6-18)19-9-10-23(24(30)13-19)20-12-21(29)15-31-14-20/h4,7-10,12-16,18,27H,3,5-6,11H2,1-2H3,(H,32,35)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.7	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315203 ((3R/S)-3-(3-{[(2R/S)-2-Cyclobutyl-2-{3-fluoro-4-[5...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCC2)c2ccc(c(F)c2)-c2cncc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C29H28F4N2O3/c1-16(11-26(36)37)22-7-4-8-25(17(22)2)35-28(38)27(18-5-3-6-18)19-9-10-23(24(30)13-19)20-12-21(15-34-14-20)29(31,32)33/h4,7-10,12-16,18,27H,3,5-6,11H2,1-2H3,(H,35,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315193 ((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C Show InChI InChI=1S/C28H29ClN2O3/c1-17(13-26(32)33)24-7-4-8-25(18(24)2)31-28(34)27(20-5-3-6-20)21-11-9-19(10-12-21)22-14-23(29)16-30-15-22/h4,7-12,14-17,20,27H,3,5-6,13H2,1-2H3,(H,31,34)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.7	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315163 ((3R/S)-3-[3-({(2R/S)-2-Cyclopentyl-2-[4-(5-ethylpy...) Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(CC)c2)c1C Show InChI InChI=1S/C32H38N2O3/c1-4-22-17-27(20-33-19-22)24-13-15-26(16-14-24)31(25-9-6-7-10-25)32(37)34-29-12-8-11-28(21(29)3)23(5-2)18-30(35)36/h8,11-17,19-20,23,25,31H,4-7,9-10,18H2,1-3H3,(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315155 ((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloro-6-methylpyridi...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cnc(C)c(Cl)c2)c1C Show InChI InChI=1S/C30H33ClN2O3/c1-18(15-28(34)35)25-9-6-10-27(19(25)2)33-30(36)29(22-7-4-5-8-22)23-13-11-21(12-14-23)24-16-26(31)20(3)32-17-24/h6,9-14,16-18,22,29H,4-5,7-8,15H2,1-3H3,(H,33,36)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315198 ((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloro-6-methylpyridi...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCC2)c2ccc(cc2)-c2cnc(C)c(Cl)c2)c1C Show InChI InChI=1S/C29H31ClN2O3/c1-17(14-27(33)34)24-8-5-9-26(18(24)2)32-29(35)28(21-6-4-7-21)22-12-10-20(11-13-22)23-15-25(30)19(3)31-16-23/h5,8-13,15-17,21,28H,4,6-7,14H2,1-3H3,(H,32,35)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315242 (3-(3-{[(2R)-2-cyclopentyl-2-{4-[6-methyl-5-(triflu...) Show SMILES Cc1ncc(cc1C(F)(F)F)-c1ccc(cc1)[C@@H](C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C |r| Show InChI InChI=1S/C30H31F3N2O3/c1-18-20(14-15-27(36)37)8-5-9-26(18)35-29(38)28(22-6-3-4-7-22)23-12-10-21(11-13-23)24-16-25(30(31,32)33)19(2)34-17-24/h5,8-13,16-17,22,28H,3-4,6-7,14-15H2,1-2H3,(H,35,38)(H,36,37)/t28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314854 ((R/S) [3-({[4-(5-Chloropyridin-3-yl)phenyl](cyclop...) Show SMILES Cc1c(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)cccc1OCC(O)=O Show InChI InChI=1S/C27H27ClN2O4/c1-17-23(7-4-8-24(17)34-16-25(31)32)30-27(33)26(19-5-2-3-6-19)20-11-9-18(10-12-20)21-13-22(28)15-29-14-21/h4,7-15,19,26H,2-3,5-6,16H2,1H3,(H,30,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315257 (3-[3-({cyclobutyl[3-fluoro-4-(5-isobutylpyridin-3-...) Show SMILES CC(C)Cc1cncc(c1)-c1ccc(cc1F)C(C1CCC1)C(=O)Nc1cccc(CCC(O)=O)c1C Show InChI InChI=1S/C31H35FN2O3/c1-19(2)14-21-15-25(18-33-17-21)26-12-10-24(16-27(26)32)30(23-7-4-8-23)31(37)34-28-9-5-6-22(20(28)3)11-13-29(35)36/h5-6,9-10,12,15-19,23,30H,4,7-8,11,13-14H2,1-3H3,(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314872 ((−) 3-{3-[(Cyclopentyl{3-fluoro-4-[5-(triflu...) Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cncc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F4N2O3/c1-17-18(10-12-26(36)37)7-4-8-25(17)35-28(38)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(16-34-15-21)29(31,32)33/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,35,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314856 ((R/S) 3-[3-({[4-(5-Chloropyridin-3-yl)phenyl](cycl...) Show SMILES COc1ccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c(C)c1CCC(O)=O Show InChI InChI=1S/C29H31ClN2O4/c1-18-24(11-14-27(33)34)26(36-2)13-12-25(18)32-29(35)28(20-5-3-4-6-20)21-9-7-19(8-10-21)22-15-23(30)17-31-16-22/h7-10,12-13,15-17,20,28H,3-6,11,14H2,1-2H3,(H,32,35)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314851 ((R/S) {3-[(Cyclopentyl{4-[5-(trifluoromethyl)pyrid...) Show SMILES Cc1c(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(c2)C(F)(F)F)cccc1OCC(O)=O Show InChI InChI=1S/C28H27F3N2O4/c1-17-23(7-4-8-24(17)37-16-25(34)35)33-27(36)26(19-5-2-3-6-19)20-11-9-18(10-12-20)21-13-22(15-32-14-21)28(29,30)31/h4,7-15,19,26H,2-3,5-6,16H2,1H3,(H,33,36)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]AZD9272 from mGluR5 in Sprague-Dawley rat striatum by autoradiographic analysis				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314816 ((R/S) 3-{3-[(Cyclopentyl{4-[5-(trifluoromethyl)pyr...) Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(cc1)-c1cncc(c1)C(F)(F)F Show InChI InChI=1S/C29H29F3N2O3/c1-18-19(13-14-26(35)36)7-4-8-25(18)34-28(37)27(21-5-2-3-6-21)22-11-9-20(10-12-22)23-15-24(17-33-16-23)29(30,31)32/h4,7-12,15-17,21,27H,2-3,5-6,13-14H2,1H3,(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315239 (3-(3-{[(2R)-2-cyclopentyl-2-{4-[5-(2-methylpropyl)...) Show SMILES CC(C)Cc1cncc(c1)-c1ccc(cc1)[C@@H](C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C |r| Show InChI InChI=1S/C32H38N2O3/c1-21(2)17-23-18-28(20-33-19-23)25-11-13-27(14-12-25)31(26-7-4-5-8-26)32(37)34-29-10-6-9-24(22(29)3)15-16-30(35)36/h6,9-14,18-21,26,31H,4-5,7-8,15-17H2,1-3H3,(H,34,37)(H,35,36)/t31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315173 ((3R/S)-3-(3-{[(2R/S)-2-Cyclopentyl-2-{3-fluoro-4-[...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C30H30F4N2O3/c1-17(12-27(37)38)23-8-5-9-26(18(23)2)36-29(39)28(19-6-3-4-7-19)20-10-11-24(25(31)14-20)21-13-22(16-35-15-21)30(32,33)34/h5,8-11,13-17,19,28H,3-4,6-7,12H2,1-2H3,(H,36,39)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314843 ((−) (R) 3-[3-({[4-(5-Chloro-6-methylpyridin-...) Show SMILES Cc1ncc(cc1Cl)-c1ccc(cc1)[C@@H](C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C |r| Show InChI InChI=1S/C29H31ClN2O3/c1-18-20(14-15-27(33)34)8-5-9-26(18)32-29(35)28(22-6-3-4-7-22)23-12-10-21(11-13-23)24-16-25(30)19(2)31-17-24/h5,8-13,16-17,22,28H,3-4,6-7,14-15H2,1-2H3,(H,32,35)(H,33,34)/t28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315178 ((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloro-6-methylpyridi...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cnc(C)c(Cl)c2)c1C Show InChI InChI=1S/C30H32ClFN2O3/c1-17(13-28(35)36)23-9-6-10-27(18(23)2)34-30(37)29(20-7-4-5-8-20)21-11-12-24(26(32)15-21)22-14-25(31)19(3)33-16-22/h6,9-12,14-17,20,29H,4-5,7-8,13H2,1-3H3,(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.9	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314870 ((R/S) 3-{3-[(Cyclopentyl{3-fluoro-4-[5-(trifluorom...) Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cncc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F4N2O3/c1-17-18(10-12-26(36)37)7-4-8-25(17)35-28(38)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(16-34-15-21)29(31,32)33/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,35,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.9	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315253 (3-[3-({(2R)-2-cyclopentyl-2-[4-(5-isopropoxypyridi...) Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(OC(C)C)c2)c1C |r| Show InChI InChI=1S/C33H40N2O4/c1-5-23(18-31(36)37)29-11-8-12-30(22(29)4)35-33(38)32(25-9-6-7-10-25)26-15-13-24(14-16-26)27-17-28(20-34-19-27)39-21(2)3/h8,11-17,19-21,23,25,32H,5-7,9-10,18H2,1-4H3,(H,35,38)(H,36,37)/t23?,32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.7	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314867 ((−) 3-[3-({[4-(5-Chloropyridin-3-yl)-3-fluor...) Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cncc(Cl)c1 Show InChI InChI=1S/C28H28ClFN2O3/c1-17-18(10-12-26(33)34)7-4-8-25(17)32-28(35)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(29)16-31-15-21/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,32,35)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.6	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315250 (3-(3-{[(2R)-2-cyclopentyl-2-{4-[5-(2,2,2-trifluoro...) Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(CC(F)(F)F)c2)c1C |r| Show InChI InChI=1S/C32H35F3N2O3/c1-3-22(16-29(38)39)27-9-6-10-28(20(27)2)37-31(40)30(24-7-4-5-8-24)25-13-11-23(12-14-25)26-15-21(18-36-19-26)17-32(33,34)35/h6,9-15,18-19,22,24,30H,3-5,7-8,16-17H2,1-2H3,(H,37,40)(H,38,39)/t22?,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.7	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314867 ((−) 3-[3-({[4-(5-Chloropyridin-3-yl)-3-fluor...) Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cncc(Cl)c1 Show InChI InChI=1S/C28H28ClFN2O3/c1-17-18(10-12-26(33)34)7-4-8-25(17)32-28(35)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(29)16-31-15-21/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,32,35)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315173 ((3R/S)-3-(3-{[(2R/S)-2-Cyclopentyl-2-{3-fluoro-4-[...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C30H30F4N2O3/c1-17(12-27(37)38)23-8-5-9-26(18(23)2)36-29(39)28(19-6-3-4-7-19)20-10-11-24(25(31)14-20)21-13-22(16-35-15-21)30(32,33)34/h5,8-11,13-17,19,28H,3-4,6-7,12H2,1-2H3,(H,36,39)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314859 ((R/S) 3-{3-[(Cyclopentyl{3-methyl-4-[5-(trifluorom...) Show SMILES Cc1cc(ccc1-c1cncc(c1)C(F)(F)F)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C Show InChI InChI=1S/C30H31F3N2O3/c1-18-14-22(10-12-25(18)23-15-24(17-34-16-23)30(31,32)33)28(21-6-3-4-7-21)29(38)35-26-9-5-8-20(19(26)2)11-13-27(36)37/h5,8-10,12,14-17,21,28H,3-4,6-7,11,13H2,1-2H3,(H,35,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.2	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315247 ((−) 3-{3-[(cyclopentyl{3-fluoro-4-[6-methyl-...) Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cnc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H27F5N2O3/c1-16-17(10-12-25(37)38)7-4-8-24(16)36-28(39)26(18-5-2-3-6-18)19-9-11-21(23(30)14-19)20-13-22(29(32,33)34)27(31)35-15-20/h4,7-9,11,13-15,18,26H,2-3,5-6,10,12H2,1H3,(H,36,39)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315248 ((−) 3-[3-({cyclopentyl[3-fluoro-4-(5-isobuty...) Show SMILES CC(C)Cc1cc(cnc1C)-c1ccc(cc1F)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C Show InChI InChI=1S/C33H39FN2O3/c1-20(2)16-26-17-27(19-35-22(26)4)28-14-12-25(18-29(28)34)32(24-8-5-6-9-24)33(39)36-30-11-7-10-23(21(30)3)13-15-31(37)38/h7,10-12,14,17-20,24,32H,5-6,8-9,13,15-16H2,1-4H3,(H,36,39)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM315149 ((3R/S)-3-(3-{[(2R/S)-2-Cyclopentyl-2-{4-[5-(triflu...) Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C30H31F3N2O3/c1-18(14-27(36)37)25-8-5-9-26(19(25)2)35-29(38)28(21-6-3-4-7-21)22-12-10-20(11-13-22)23-15-24(17-34-16-23)30(31,32)33/h5,8-13,15-18,21,28H,3-4,6-7,14H2,1-2H3,(H,35,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM314817 ((−) (R) 3-{3-[(Cyclopentyl{4-[5-(trifluorome...) Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)[C@H](C1CCCC1)c1ccc(cc1)-c1cncc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N2O3/c1-18-19(13-14-26(35)36)7-4-8-25(18)34-28(37)27(21-5-2-3-6-21)22-11-9-20(10-12-22)23-15-24(17-33-16-23)29(30,31)32/h4,7-12,15-17,21,27H,2-3,5-6,13-14H2,1H3,(H,34,37)(H,35,36)/t27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.4	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...				US Patent US10172814 (2019) BindingDB Entry DOI: 10.7270/Q20K2BNW
					More data for this Ligand-Target Pair

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