Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'soares' and Initial = 'mbp'   

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)
Cruzipain (Trypanosoma cruzi)	BDBM50282986 (CHEMBL3786939) Show SMILES C\C(=N/Nc1nc(C)cs1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C12H11Cl2N3S/c1-7-6-18-12(15-7)17-16-8(2)9-3-4-10(13)11(14)5-9/h3-6H,1-2H3,(H,15,17)/b16-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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 Trypanosoma cruzi cruzain preincubated for 10 mins followed by Z-FR-AMC substrate addition measured for 5 mins at 12 secs t...				Eur J Med Chem 141: 346-361 (2017) Article DOI: 10.1016/j.ejmech.2017.09.047 BindingDB Entry DOI: 10.7270/Q2F1927C
					More data for this Ligand-Target Pair
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
Cruzipain (Trypanosoma cruzi)	BDBM50516805 (CHEMBL3785388) Show SMILES Cc1ccc(C)c(SC\C=N\NC(N)=S)c1 Show InChI InChI=1S/C11H15N3S2/c1-8-3-4-9(2)10(7-8)16-6-5-13-14-11(12)15/h3-5,7H,6H2,1-2H3,(H3,12,14,15)/b13-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins b...				Eur J Med Chem 180: 191-203 (2019) Article DOI: 10.1016/j.ejmech.2019.07.018 BindingDB Entry DOI: 10.7270/Q2M90D1Q
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50282987 (CHEMBL4165151) Show SMILES C\C(=N/Nc1nc(C)c(C)s1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H13Cl2N3S/c1-7-9(3)19-13(16-7)18-17-8(2)10-4-5-11(14)12(15)6-10/h4-6H,1-3H3,(H,16,18)/b17-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+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 Trypanosoma cruzi cruzain preincubated for 10 mins followed by Z-FR-AMC substrate addition measured for 5 mins at 12 secs t...				Eur J Med Chem 141: 346-361 (2017) Article DOI: 10.1016/j.ejmech.2017.09.047 BindingDB Entry DOI: 10.7270/Q2F1927C
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50516806 (CHEMBL3787052) Show SMILES NC(=S)N\N=C\CSc1cccc(Cl)c1 Show InChI InChI=1S/C9H10ClN3S2/c10-7-2-1-3-8(6-7)15-5-4-12-13-9(11)14/h1-4,6H,5H2,(H3,11,13,14)/b12-4+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins b...				Eur J Med Chem 180: 191-203 (2019) Article DOI: 10.1016/j.ejmech.2019.07.018 BindingDB Entry DOI: 10.7270/Q2M90D1Q
					More data for this Ligand-Target Pair