Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50008657   

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 (Homo sapiens (Human))	BDBM50075829 (2-Benzyl-3-(hydroxy-phenylacetyl-amino)-propionic ...) Show SMILES ON(CC(Cc1ccccc1)C(O)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C18H19NO4/c20-17(12-15-9-5-2-6-10-15)19(23)13-16(18(21)22)11-14-7-3-1-4-8-14/h1-10,16,23H,11-13H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science and Technology Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against carboxypeptidase A (CPA)				Bioorg Med Chem Lett 9: 691-6 (1999) BindingDB Entry DOI: 10.7270/Q2M044K0
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50075832 ((R)-2-Benzyl-3-(formyl-hydroxy-amino)-propionic ac...) Show SMILES ON(C[C@@H](Cc1ccccc1)C(O)=O)C=O Show InChI InChI=1S/C11H13NO4/c13-8-12(16)7-10(11(14)15)6-9-4-2-1-3-5-9/h1-5,8,10,16H,6-7H2,(H,14,15)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science and Technology Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against carboxypeptidase A (CPA)				Bioorg Med Chem Lett 9: 691-6 (1999) BindingDB Entry DOI: 10.7270/Q2M044K0
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50075831 (2-Benzyl-3-(formyl-hydroxy-amino)-propionic acid |...) Show SMILES ON(CC(Cc1ccccc1)C(O)=O)C=O Show InChI InChI=1S/C11H13NO4/c13-8-12(16)7-10(11(14)15)6-9-4-2-1-3-5-9/h1-5,8,10,16H,6-7H2,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science and Technology Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against carboxypeptidase A (CPA)				Bioorg Med Chem Lett 9: 691-6 (1999) BindingDB Entry DOI: 10.7270/Q2M044K0
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50075833 (2-Benzyl-3-[hydroxy-(4-phenyl-butyryl)-amino]-prop...) Show SMILES ON(CC(Cc1ccccc1)C(O)=O)C(=O)CCCc1ccccc1 Show InChI InChI=1S/C20H23NO4/c22-19(13-7-12-16-8-3-1-4-9-16)21(25)15-18(20(23)24)14-17-10-5-2-6-11-17/h1-6,8-11,18,25H,7,12-15H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science and Technology Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against carboxypeptidase A (CPA)				Bioorg Med Chem Lett 9: 691-6 (1999) BindingDB Entry DOI: 10.7270/Q2M044K0
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50075835 (2-Benzyl-3-[hydroxy-(3-phenyl-propionyl)-amino]-pr...) Show SMILES ON(CC(Cc1ccccc1)C(O)=O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C19H21NO4/c21-18(12-11-15-7-3-1-4-8-15)20(24)14-17(19(22)23)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science and Technology Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against carboxypeptidase A (CPA)				Bioorg Med Chem Lett 9: 691-6 (1999) BindingDB Entry DOI: 10.7270/Q2M044K0
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50075834 ((S)-2-Benzyl-3-(formyl-hydroxy-amino)-propionic ac...) Show SMILES ON(C[C@H](Cc1ccccc1)C(O)=O)C=O Show InChI InChI=1S/C11H13NO4/c13-8-12(16)7-10(11(14)15)6-9-4-2-1-3-5-9/h1-5,8,10,16H,6-7H2,(H,14,15)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science and Technology Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against carboxypeptidase A (CPA)				Bioorg Med Chem Lett 9: 691-6 (1999) BindingDB Entry DOI: 10.7270/Q2M044K0
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50075827 (2-Benzyl-3-(hydroxy-propionyl-amino)-propionic aci...) Show SMILES CCC(=O)N(O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C13H17NO4/c1-2-12(15)14(18)9-11(13(16)17)8-10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science and Technology Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against carboxypeptidase A (CPA)				Bioorg Med Chem Lett 9: 691-6 (1999) BindingDB Entry DOI: 10.7270/Q2M044K0
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50075830 (3-(Acetyl-hydroxy-amino)-2-benzyl-propionic acid |...) Show SMILES CC(=O)N(O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C12H15NO4/c1-9(14)13(17)8-11(12(15)16)7-10-5-3-2-4-6-10/h2-6,11,17H,7-8H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science and Technology Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against carboxypeptidase A (CPA)				Bioorg Med Chem Lett 9: 691-6 (1999) BindingDB Entry DOI: 10.7270/Q2M044K0
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50075828 (3-(Benzoyl-hydroxy-amino)-2-benzyl-propionic acid ...) Show SMILES ON(CC(Cc1ccccc1)C(O)=O)C(=O)c1ccccc1 Show InChI InChI=1S/C17H17NO4/c19-16(14-9-5-2-6-10-14)18(22)12-15(17(20)21)11-13-7-3-1-4-8-13/h1-10,15,22H,11-12H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science and Technology Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against carboxypeptidase A (CPA)				Bioorg Med Chem Lett 9: 691-6 (1999) BindingDB Entry DOI: 10.7270/Q2M044K0
					More data for this Ligand-Target Pair