Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM315198'   

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
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))	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	35.8	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))	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	47.6	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))	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	349	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))	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	3.43E+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