Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50028886   

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 A1 (Bos taurus (bovine))	BDBM50109593 (2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...) Show SMILES OC(=O)C(CS)Cc1ccccc1 Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279954 (3-(3-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...) Show SMILES OC(=O)C(CS)Cc1cccc(F)c1 Show InChI InChI=1S/C10H11FO2S/c11-9-3-1-2-7(5-9)4-8(6-14)10(12)13/h1-3,5,8,14H,4,6H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279947 (3-(4-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...) Show SMILES OC(=O)C(CS)Cc1ccc(F)cc1 Show InChI InChI=1S/C10H11FO2S/c11-9-3-1-7(2-4-9)5-8(6-14)10(12)13/h1-4,8,14H,5-6H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279958 (3-(2-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...) Show SMILES OC(=O)C(CS)Cc1ccccc1F Show InChI InChI=1S/C10H11FO2S/c11-9-4-2-1-3-7(9)5-8(6-14)10(12)13/h1-4,8,14H,5-6H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279955 (2-Mercaptomethyl-3-p-tolyl-propionic acid | CHEMBL...) Show SMILES Cc1ccc(CC(CS)C(O)=O)cc1 Show InChI InChI=1S/C11H14O2S/c1-8-2-4-9(5-3-8)6-10(7-14)11(12)13/h2-5,10,14H,6-7H2,1H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279956 (2-Mercaptomethyl-3-o-tolyl-propionic acid | CHEMBL...) Show SMILES Cc1ccccc1CC(CS)C(O)=O Show InChI InChI=1S/C11H14O2S/c1-8-4-2-3-5-9(8)6-10(7-14)11(12)13/h2-5,10,14H,6-7H2,1H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279953 (2-Mercaptomethyl-3-m-tolyl-propionic acid | CHEMBL...) Show SMILES Cc1cccc(CC(CS)C(O)=O)c1 Show InChI InChI=1S/C11H14O2S/c1-8-3-2-4-9(5-8)6-10(7-14)11(12)13/h2-5,10,14H,6-7H2,1H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279949 (2-Mercaptomethyl-3-naphthalen-2-yl-propionic acid ...) Show SMILES OC(=O)C(CS)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C14H14O2S/c15-14(16)13(9-17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13,17H,8-9H2,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279945 (3-(3,4-Difluoro-phenyl)-2-mercaptomethyl-propionic...) Show SMILES OC(=O)C(CS)Cc1ccc(F)c(F)c1 Show InChI InChI=1S/C10H10F2O2S/c11-8-2-1-6(4-9(8)12)3-7(5-15)10(13)14/h1-2,4,7,15H,3,5H2,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279950 (3-(2,3-Dimethyl-phenyl)-2-mercaptomethyl-propionic...) Show SMILES Cc1cccc(CC(CS)C(O)=O)c1C Show InChI InChI=1S/C12H16O2S/c1-8-4-3-5-10(9(8)2)6-11(7-15)12(13)14/h3-5,11,15H,6-7H2,1-2H3,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279957 (2-Mercaptomethyl-3-naphthalen-1-yl-propionic acid ...) Show SMILES OC(=O)C(CS)Cc1cccc2ccccc12 Show InChI InChI=1S/C14H14O2S/c15-14(16)12(9-17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,17H,8-9H2,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279952 (3-(3,4-Dimethyl-phenyl)-2-mercaptomethyl-propionic...) Show SMILES Cc1ccc(CC(CS)C(O)=O)cc1C Show InChI InChI=1S/C12H16O2S/c1-8-3-4-10(5-9(8)2)6-11(7-15)12(13)14/h3-5,11,15H,6-7H2,1-2H3,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	492	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279946 (2-Mercaptomethyl-3-(3,4,5-trifluoro-phenyl)-propio...) Show SMILES OC(=O)C(CS)Cc1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C10H9F3O2S/c11-7-2-5(3-8(12)9(7)13)1-6(4-16)10(14)15/h2-3,6,16H,1,4H2,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279951 (2-Mercaptomethyl-3-pentafluorophenyl-propionic aci...) Show SMILES OC(=O)C(CS)Cc1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C10H7F5O2S/c11-5-4(1-3(2-18)10(16)17)6(12)8(14)9(15)7(5)13/h3,18H,1-2H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50109602 (3-Cyclohexyl-2-mercaptomethyl-propionic acid | CHE...) Show SMILES OC(=O)C(CS)CC1CCCCC1 Show InChI InChI=1S/C10H18O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h8-9,13H,1-7H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279959 (3-(4-Isopropyl-phenyl)-2-mercaptomethyl-propionic ...) Show SMILES CC(C)c1ccc(CC(CS)C(O)=O)cc1 Show InChI InChI=1S/C13H18O2S/c1-9(2)11-5-3-10(4-6-11)7-12(8-16)13(14)15/h3-6,9,12,16H,7-8H2,1-2H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279948 (3-(4-tert-Butyl-phenyl)-2-mercaptomethyl-propionic...) Show SMILES CC(C)(C)c1ccc(CC(CS)C(O)=O)cc1 Show InChI InChI=1S/C14H20O2S/c1-14(2,3)12-6-4-10(5-7-12)8-11(9-17)13(15)16/h4-7,11,17H,8-9H2,1-3H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair