Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'paez' and Initial = 'ja'   

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
Cruzipain (Trypanosoma cruzi)	BDBM50225450 (5(E)-[2-(phenylsulfonyl)vinyl]benzo[1,2-c]1,2,5-ox...) Show SMILES [O-][n+]1onc2cc(\C=C\S(=O)(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C14H10N2O4S/c17-16-14-7-6-11(10-13(14)15-20-16)8-9-21(18,19)12-4-2-1-3-5-12/h1-10H/b9-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de la República Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi Tulahuen 2 cruzipain				J Med Chem 50: 6004-15 (2007) Article DOI: 10.1021/jm070604e BindingDB Entry DOI: 10.7270/Q2NG4QB1
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50225446 (5(Z)-[2-(phenylsulfonyl)vinyl]benzo[1,2-c]1,2,5-ox...) Show SMILES [O-][n+]1onc2cc(\C=C/S(=O)(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C14H10N2O4S/c17-16-14-7-6-11(10-13(14)15-20-16)8-9-21(18,19)12-4-2-1-3-5-12/h1-10H/b9-8-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de la República Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi Tulahuen 2 cruzipain				J Med Chem 50: 6004-15 (2007) Article DOI: 10.1021/jm070604e BindingDB Entry DOI: 10.7270/Q2NG4QB1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202581 (CHEMBL218795 | N-hexadecylsulfamide) Show SMILES CCCCCCCCCCCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C16H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(17,19)20/h18H,2-16H2,1H3,(H2,17,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202582 (CHEMBL374948 | N-oleylsulfamide) Show SMILES CCCCCCCCC\C=C/CCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C18H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h10-11,20H,2-9,12-18H2,1H3,(H2,19,21,22)/b11-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	524	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM29080 (CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202583 (CHEMBL219156 | N-octadecyl-N'-propylsulfamide) Show SMILES CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H46N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h22-23H,3-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202585 (CHEMBL387094 | N-hexadecyl-N'-propylsulfamide) Show SMILES CCCCCCCCCCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C19H42N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21-24(22,23)20-18-4-2/h20-21H,3-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202584 (CHEMBL218643 | N-(2-adamantyl)-N'-propylsulfamide) Show SMILES CCCNS(=O)(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:16:12.11.10:14,THB:17:11:14:15.16.8,7:8:12.11.10:14,12:11:13.14.15:8,12:13:11.10.17:8,(23.16,-18.46,;21.75,-17.83,;20.5,-18.72,;19.09,-18.09,;17.76,-18.87,;18.55,-20.21,;16.97,-17.56,;16.45,-19.66,;15.19,-18.76,;13.74,-19.3,;12.91,-18.13,;12.89,-16.71,;11.26,-16.06,;12.2,-17.31,;12.19,-18.83,;13.68,-16.73,;15.22,-17.24,;14.27,-16.16,)| Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-15H,2-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292324 (CHEMBL393324 | N-phenyl-2-benzyl-3-(4-chlorophenyl...) Show SMILES Clc1ccc(cc1)C1=CC(=NS(=O)(=O)N1Cc1ccccc1)C(=O)Nc1ccccc1 |c:10,t:8| Show InChI InChI=1S/C23H18ClN3O3S/c24-19-13-11-18(12-14-19)22-15-21(23(28)25-20-9-5-2-6-10-20)26-31(29,30)27(22)16-17-7-3-1-4-8-17/h1-15H,16H2,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.73E+3	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292325 (CHEMBL240109 | N-cyclohexyl-2-(2,4-dichlorobenzyl)...) Show SMILES Cc1cc(ccc1Cl)C1=CC(=NS(=O)(=O)N1Cc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |c:11,t:9| Show InChI InChI=1S/C24H24Cl3N3O3S/c1-15-11-16(8-10-20(15)26)23-13-22(24(31)28-19-5-3-2-4-6-19)29-34(32,33)30(23)14-17-7-9-18(25)12-21(17)27/h7-13,19H,2-6,14H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.69E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292326 (CHEMBL239257 | N-(piperidin-1-yl)-2-hexyl-3-methyl...) Show SMILES CCCCCCN1C(C)=CC(=NS1(=O)=O)C(=O)NN1CCCCC1 |c:8,10| Show InChI InChI=1S/C16H28N4O3S/c1-3-4-5-9-12-20-14(2)13-15(18-24(20,22)23)16(21)17-19-10-7-6-8-11-19/h13H,3-12H2,1-2H3,(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.69E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292327 (CHEMBL241774 | N-(piperidin-1-yl)-3-(4-chloropheny...) Show SMILES CCCCCCN1C(=CC(=NS1(=O)=O)C(=O)NN1CCCCC1)c1ccc(Cl)cc1 |c:7,9| Show InChI InChI=1S/C21H29ClN4O3S/c1-2-3-4-8-15-26-20(17-9-11-18(22)12-10-17)16-19(24-30(26,28)29)21(27)23-25-13-6-5-7-14-25/h9-12,16H,2-8,13-15H2,1H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.44E+3	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292328 (CHEMBL241567 | N-(1,3,3-trimethylbicyclo[2.2.1]hep...) Show SMILES CC1(C)C2CCC(C)(C2)C1NC(=O)C1=NS(=O)(=O)N(Cc2ccccc2)C(=C1)c1ccc(Cl)cc1 |w:3.3,9.11,6.6,c:29,t:15,TEB:10:9:4.5:8| Show InChI InChI=1S/C27H30ClN3O3S/c1-26(2)20-13-14-27(3,16-20)25(26)29-24(32)22-15-23(19-9-11-21(28)12-10-19)31(35(33,34)30-22)17-18-7-5-4-6-8-18/h4-12,15,20,25H,13-14,16-17H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.99E+3	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292329 (CHEMBL240324 | N-(piperidin-1-yl)-2-benzyl-3-(4-ch...) Show SMILES Clc1ccc(cc1)C1=CC(=NS(=O)(=O)N1Cc1ccccc1)C(=O)NN1CCCCC1 |c:10,t:8| Show InChI InChI=1S/C22H23ClN4O3S/c23-19-11-9-18(10-12-19)21-15-20(22(28)24-26-13-5-2-6-14-26)25-31(29,30)27(21)16-17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292330 (CHEMBL391839 | N-(piperidin-1-yl)-3-(4-bromophenyl...) Show SMILES Brc1ccc(cc1)C1=CC(=NS(=O)(=O)N1C1CCCCC1)C(=O)NN1CCCCC1 |c:10,t:8| Show InChI InChI=1S/C21H27BrN4O3S/c22-17-11-9-16(10-12-17)20-15-19(21(27)23-25-13-5-2-6-14-25)24-30(28,29)26(20)18-7-3-1-4-8-18/h9-12,15,18H,1-8,13-14H2,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.84E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202579 (CHEMBL218794 | N-octadecylsulfamide) Show SMILES CCCCCCCCCCCCCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C18H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h20H,2-18H2,1H3,(H2,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50202580 (CHEMBL374076 | N-oleyl-N'-propylsulfamide) Show SMILES CCCCCCCCC\C=C/CCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H44N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h12-13,22-23H,3-11,14-21H2,1-2H3/b13-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Activation of human PPARalpha by GST pull down assay				J Med Chem 50: 389-93 (2007) Article DOI: 10.1021/jm0601102 BindingDB Entry DOI: 10.7270/Q2HX1CB0
					More data for this Ligand-Target Pair