Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'avilés' and Initial = 'fx'   

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
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM81910 (1-((6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl...) Show SMILES CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1 Show InChI InChI=1S/C25H25N3OS2/c1-17-10-11-23-20(13-17)14-21(24(29)27-23)15-28(16-22-9-6-12-31-22)25(30)26-18(2)19-7-4-3-5-8-19/h3-14,18H,15-16H2,1-2H3,(H,26,30)(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM81911 (methyl 2-(3-furan-2-ylmethyl)-3-((8-methyl-2-oxo-1...) Show SMILES COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O Show InChI InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM81906 (2-(5-(naphthalen-2-yloxy)methyl)-1,3,4-oxadiazol-2...) Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 Show InChI InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM81910 (1-((6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl...) Show SMILES CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1 Show InChI InChI=1S/C25H25N3OS2/c1-17-10-11-23-20(13-17)14-21(24(29)27-23)15-28(16-22-9-6-12-31-22)25(30)26-18(2)19-7-4-3-5-8-19/h3-14,18H,15-16H2,1-2H3,(H,26,30)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM81906 (2-(5-(naphthalen-2-yloxy)methyl)-1,3,4-oxadiazol-2...) Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 Show InChI InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM81910 (1-((6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl...) Show SMILES CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1 Show InChI InChI=1S/C25H25N3OS2/c1-17-10-11-23-20(13-17)14-21(24(29)27-23)15-28(16-22-9-6-12-31-22)25(30)26-18(2)19-7-4-3-5-8-19/h3-14,18H,15-16H2,1-2H3,(H,26,30)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM81905 (1-(3,4-dihydroisoquinolin-1(1H)-yl)-2-(5-(3,5-dime...) Show SMILES Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1 Show InChI InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM81905 (1-(3,4-dihydroisoquinolin-1(1H)-yl)-2-(5-(3,5-dime...) Show SMILES Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1 Show InChI InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM81905 (1-(3,4-dihydroisoquinolin-1(1H)-yl)-2-(5-(3,5-dime...) Show SMILES Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1 Show InChI InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM81908 (3-(5-((naphthalen-1-yloxy)methyl)-4-pheny-4H-1,2,4...) Show SMILES OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM81908 (3-(5-((naphthalen-1-yloxy)methyl)-4-pheny-4H-1,2,4...) Show SMILES OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM81911 (methyl 2-(3-furan-2-ylmethyl)-3-((8-methyl-2-oxo-1...) Show SMILES COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O Show InChI InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM47512 (1-(4-methylphenyl)-2-[[5-(8-quinolinyloxymethyl)-1...) Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1 Show InChI InChI=1S/C21H17N3O3S/c1-14-7-9-15(10-8-14)17(25)13-28-21-24-23-19(27-21)12-26-18-6-2-4-16-5-3-11-22-20(16)18/h2-11H,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM81909 (N-benzyl-4-fluoro-N-((4-hydroxyquinazolin-2-yl)met...) Show SMILES Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C22H18FN3O3S/c23-17-10-12-18(13-11-17)30(28,29)26(14-16-6-2-1-3-7-16)15-21-24-20-9-5-4-8-19(20)22(27)25-21/h1-13H,14-15H2,(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM81911 (methyl 2-(3-furan-2-ylmethyl)-3-((8-methyl-2-oxo-1...) Show SMILES COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O Show InChI InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM81907 (1-(2-hydroxyethyl)-1-((6-methoxy-2-oxo-1,2-dihydro...) Show SMILES COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1 Show InChI InChI=1S/C21H23N3O3S/c1-14-3-5-17(6-4-14)22-21(28)24(9-10-25)13-16-11-15-12-18(27-2)7-8-19(15)23-20(16)26/h3-8,11-12,25H,9-10,13H2,1-2H3,(H,22,28)(H,23,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM81907 (1-(2-hydroxyethyl)-1-((6-methoxy-2-oxo-1,2-dihydro...) Show SMILES COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1 Show InChI InChI=1S/C21H23N3O3S/c1-14-3-5-17(6-4-14)22-21(28)24(9-10-25)13-16-11-15-12-18(27-2)7-8-19(15)23-20(16)26/h3-8,11-12,25H,9-10,13H2,1-2H3,(H,22,28)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM47512 (1-(4-methylphenyl)-2-[[5-(8-quinolinyloxymethyl)-1...) Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1 Show InChI InChI=1S/C21H17N3O3S/c1-14-7-9-15(10-8-14)17(25)13-28-21-24-23-19(27-21)12-26-18-6-2-4-16-5-3-11-22-20(16)18/h2-11H,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM81904 (1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(5thiophen-2...) Show SMILES O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1 Show InChI InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM81908 (3-(5-((naphthalen-1-yloxy)methyl)-4-pheny-4H-1,2,4...) Show SMILES OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM81909 (N-benzyl-4-fluoro-N-((4-hydroxyquinazolin-2-yl)met...) Show SMILES Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C22H18FN3O3S/c23-17-10-12-18(13-11-17)30(28,29)26(14-16-6-2-1-3-7-16)15-21-24-20-9-5-4-8-19(20)22(27)25-21/h1-13H,14-15H2,(H,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM47512 (1-(4-methylphenyl)-2-[[5-(8-quinolinyloxymethyl)-1...) Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1 Show InChI InChI=1S/C21H17N3O3S/c1-14-7-9-15(10-8-14)17(25)13-28-21-24-23-19(27-21)12-26-18-6-2-4-16-5-3-11-22-20(16)18/h2-11H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM81906 (2-(5-(naphthalen-2-yloxy)methyl)-1,3,4-oxadiazol-2...) Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 Show InChI InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM81904 (1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(5thiophen-2...) Show SMILES O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1 Show InChI InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM81909 (N-benzyl-4-fluoro-N-((4-hydroxyquinazolin-2-yl)met...) Show SMILES Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C22H18FN3O3S/c23-17-10-12-18(13-11-17)30(28,29)26(14-16-6-2-1-3-7-16)15-21-24-20-9-5-4-8-19(20)22(27)25-21/h1-13H,14-15H2,(H,24,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM81902 (2-Amino-3-(1-aminoisoquinolin-6-yl)propanoic acid,...) Show SMILES NC(Cc1ccc2c(N)nccc2c1)C(O)=O Show InChI InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-9-8(5-7)3-4-15-11(9)14/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM81903 (2-amino-3-(1-aminoisoquinolin-7-yl)propanoic acid,...) Show SMILES NC(Cc1ccc2ccnc(N)c2c1)C(O)=O Show InChI InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-8-3-4-15-11(14)9(8)5-7/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM81903 (2-amino-3-(1-aminoisoquinolin-7-yl)propanoic acid,...) Show SMILES NC(Cc1ccc2ccnc(N)c2c1)C(O)=O Show InChI InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-8-3-4-15-11(14)9(8)5-7/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM81902 (2-Amino-3-(1-aminoisoquinolin-6-yl)propanoic acid,...) Show SMILES NC(Cc1ccc2c(N)nccc2c1)C(O)=O Show InChI InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-9-8(5-7)3-4-15-11(9)14/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM81902 (2-Amino-3-(1-aminoisoquinolin-6-yl)propanoic acid,...) Show SMILES NC(Cc1ccc2c(N)nccc2c1)C(O)=O Show InChI InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-9-8(5-7)3-4-15-11(9)14/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM81903 (2-amino-3-(1-aminoisoquinolin-7-yl)propanoic acid,...) Show SMILES NC(Cc1ccc2ccnc(N)c2c1)C(O)=O Show InChI InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-8-3-4-15-11(14)9(8)5-7/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM81907 (1-(2-hydroxyethyl)-1-((6-methoxy-2-oxo-1,2-dihydro...) Show SMILES COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1 Show InChI InChI=1S/C21H23N3O3S/c1-14-3-5-17(6-4-14)22-21(28)24(9-10-25)13-16-11-15-12-18(27-2)7-8-19(15)23-20(16)26/h3-8,11-12,25H,9-10,13H2,1-2H3,(H,22,28)(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM81904 (1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(5thiophen-2...) Show SMILES O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1 Show InChI InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona					Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...				Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M
					More data for this Ligand-Target Pair