Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'moraes' and Initial = 'adto'   

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 1 (Ovis aries (Sheep))	BDBM50469275 (CHEMBL4290673) Show SMILES Brc1ccc2[nH]cc(\C=N\NC(=O)CC#N)c2c1 Show InChI InChI=1S/C12H9BrN4O/c13-9-1-2-11-10(5-9)8(6-15-11)7-16-17-12(18)3-4-14/h1-2,5-7,15H,3H2,(H,17,18)/b16-7+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50469275 (CHEMBL4290673) Show SMILES Brc1ccc2[nH]cc(\C=N\NC(=O)CC#N)c2c1 Show InChI InChI=1S/C12H9BrN4O/c13-9-1-2-11-10(5-9)8(6-15-11)7-16-17-12(18)3-4-14/h1-2,5-7,15H,3H2,(H,17,18)/b16-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincu...				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincu...				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50469276 (CHEMBL4282782) Show SMILES O=C(CC#N)N\N=C\c1c[nH]c2ccccc12 Show InChI InChI=1S/C12H10N4O/c13-6-5-12(17)16-15-8-9-7-14-11-4-2-1-3-10(9)11/h1-4,7-8,14H,5H2,(H,16,17)/b15-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincu...				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50469276 (CHEMBL4282782) Show SMILES O=C(CC#N)N\N=C\c1c[nH]c2ccccc12 Show InChI InChI=1S/C12H10N4O/c13-6-5-12(17)16-15-8-9-7-14-11-4-2-1-3-10(9)11/h1-4,7-8,14H,5H2,(H,16,17)/b15-8+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair