Compile Data Set for Download or QSAR

Found 440 hits with Last Name = 'kim' and Initial = 'dh'   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Rattus norvegicus)	BDBM50116711 (3,7-Dihydroxy-2-(4-hydroxy-phenyl)-5-methoxy-8-(3-...) Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(c(-[#8])c(=O)c12)-c1ccc(-[#8])cc1 Show InChI InChI=1S/C21H20O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science& Technology Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5 from rat diaphragm				Bioorg Med Chem Lett 12: 2313-6 (2002) BindingDB Entry DOI: 10.7270/Q21R6R2S
					More data for this Ligand-Target Pair
Mast cell carboxypeptidase A (Homo sapiens (Human))	BDBM50281176 ((S)-2-Mercaptomethyl-3-phenyl-propionic acid | 2-T...) Show SMILES OC(=O)[C@@H](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)/t9-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid UniChem Similars	Article	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against carboxypeptidase A				Bioorg Med Chem Lett 3: 2681-2684 (1993) Article DOI: 10.1016/S0960-894X(01)80741-1 BindingDB Entry DOI: 10.7270/Q2GM876S
					More data for this Ligand-Target Pair
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	PubMed	10	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 Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.				J Med Chem 45: 911-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BJD
					More data for this Ligand-Target Pair
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))	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 Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)				Bioorg Med Chem Lett 1: 323-326 (1991) Article DOI: 10.1016/S0960-894X(01)80817-9 BindingDB Entry DOI: 10.7270/Q2QR4X1V
					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))	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 Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)				Bioorg Med Chem Lett 1: 323-326 (1991) Article DOI: 10.1016/S0960-894X(01)80817-9 BindingDB Entry DOI: 10.7270/Q2QR4X1V
					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))	BDBM50109588 ((S)3-Mercapto-2-phenethylamino-propionic acid | CH...) Show SMILES OC(=O)[C@@H](CS)NCCc1ccccc1 Show InChI InChI=1S/C11H15NO2S/c13-11(14)10(8-15)12-7-6-9-4-2-1-3-5-9/h1-5,10,12,15H,6-8H2,(H,13,14)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	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 Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.				J Med Chem 45: 911-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BJD
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50109585 (3-Mercapto-2-phenethylamino-propionic acid | CHEMB...) Show SMILES OC(=O)C(CS)NCCc1ccccc1 Show InChI InChI=1S/C11H15NO2S/c13-11(14)10(8-15)12-7-6-9-4-2-1-3-5-9/h1-5,10,12,15H,6-8H2,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	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 Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.				J Med Chem 45: 911-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BJD
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451267 (CHEMBL4204078) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ncccn2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C28H27N5O4/c1-35-26-12-19(15-31-7-9-32(10-8-31)28-29-4-2-5-30-28)20-13-23-21-14-25-24(36-17-37-25)11-18(21)3-6-33(23)16-22(20)27(26)34/h2,4-5,11-14,16H,3,6-10,15,17H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279960 (2-Mercaptomethyl-3-phenyl-butyric acid | CHEMBL109...) Show SMILES CC(C(CS)C(O)=O)c1ccccc1 Show InChI InChI=1S/C11H14O2S/c1-8(10(7-14)11(12)13)9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)				Bioorg Med Chem Lett 1: 323-326 (1991) Article DOI: 10.1016/S0960-894X(01)80817-9 BindingDB Entry DOI: 10.7270/Q2QR4X1V
					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))	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 Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)				Bioorg Med Chem Lett 1: 323-326 (1991) Article DOI: 10.1016/S0960-894X(01)80817-9 BindingDB Entry DOI: 10.7270/Q2QR4X1V
					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))	BDBM50279961 (3-(4-Bromo-phenyl)-2-mercaptomethyl-propionic acid...) Show SMILES OC(=O)C(CS)Cc1ccc(Br)cc1 Show InChI InChI=1S/C10H11BrO2S/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	Article	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)				Bioorg Med Chem Lett 1: 323-326 (1991) Article DOI: 10.1016/S0960-894X(01)80817-9 BindingDB Entry DOI: 10.7270/Q2QR4X1V
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50109591 (2-Mercaptomethyl-4-methyl-pentanoic acid | CHEMBL3...) Show SMILES CC(C)CC(CS)C(O)=O Show InChI InChI=1S/C7H14O2S/c1-5(2)3-6(4-10)7(8)9/h5-6,10H,3-4H2,1-2H3,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	160	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 Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.				J Med Chem 45: 911-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BJD
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279963 (3-(4-Chloro-phenyl)-2-mercaptomethyl-propionic aci...) Show SMILES OC(=O)C(CS)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C10H11ClO2S/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	Article	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)				Bioorg Med Chem Lett 1: 323-326 (1991) Article DOI: 10.1016/S0960-894X(01)80817-9 BindingDB Entry DOI: 10.7270/Q2QR4X1V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451253 (CHEMBL4214358) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccccn2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C29H28N4O4/c1-35-27-13-20(16-31-8-10-32(11-9-31)28-4-2-3-6-30-28)21-14-24-22-15-26-25(36-18-37-26)12-19(22)5-7-33(24)17-23(21)29(27)34/h2-4,6,12-15,17H,5,7-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					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))	BDBM50109581 ((S)2-Benzylamino-3-mercapto-propionic acid | CHEMB...) Show SMILES OC(=O)[C@@H](CS)NCc1ccccc1 Show InChI InChI=1S/C10H13NO2S/c12-10(13)9(7-14)11-6-8-4-2-1-3-5-8/h1-5,9,11,14H,6-7H2,(H,12,13)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	190	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 Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.				J Med Chem 45: 911-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BJD
					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
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451268 (CHEMBL4216355) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc3ccccc3c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C34H31N3O4/c1-39-33-16-25(19-35-10-12-36(13-11-35)26-7-6-22-4-2-3-5-23(22)14-26)27-17-30-28-18-32-31(40-21-41-32)15-24(28)8-9-37(30)20-29(27)34(33)38/h2-7,14-18,20H,8-13,19,21H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					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
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451256 (CHEMBL4212214) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2cccc(Cl)c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28ClN3O4/c1-36-29-12-20(16-32-7-9-33(10-8-32)22-4-2-3-21(31)13-22)23-14-26-24-15-28-27(37-18-38-28)11-19(24)5-6-34(26)17-25(23)30(29)35/h2-4,11-15,17H,5-10,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50100009 (2-(1H-Imidazol-4-yl)-3-phenyl-propionic acid | 2-(...) Show SMILES OC(=O)C(Cc1ccccc1)c1cnc[nH]1 Show InChI InChI=1S/C12H12N2O2/c15-12(16)10(11-7-13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	260	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 Inhibitory constant of carboxypeptidase A (CPA) in absence of Zinc ion.				Bioorg Med Chem Lett 11: 1425-7 (2001) BindingDB Entry DOI: 10.7270/Q2GX49VQ
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50109599 (2-Benzylamino-3-mercapto-propionic acid | CHEMBL16...) Show SMILES OC(=O)C(CS)NCc1ccccc1 Show InChI InChI=1S/C10H13NO2S/c12-10(13)9(7-14)11-6-8-4-2-1-3-5-8/h1-5,9,11,14H,6-7H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	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 Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.				J Med Chem 45: 911-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BJD
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451273 (CHEMBL4212028) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C31H31N3O4/c1-20-3-5-23(6-4-20)33-11-9-32(10-12-33)17-22-14-30(36-2)31(35)26-18-34-8-7-21-13-28-29(38-19-37-28)16-25(21)27(34)15-24(22)26/h3-6,13-16,18H,7-12,17,19H2,1-2H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
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 (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
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451264 (CHEMBL4217558) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2cccc(Cl)c2Cl)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H27Cl2N3O4/c1-37-28-12-19(15-33-7-9-34(10-8-33)24-4-2-3-23(31)29(24)32)20-13-25-21-14-27-26(38-17-39-27)11-18(21)5-6-35(25)16-22(20)30(28)36/h2-4,11-14,16H,5-10,15,17H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451252 (CHEMBL4206473) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(F)cc2F)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H27F2N3O4/c1-37-29-11-19(15-33-6-8-34(9-7-33)25-3-2-20(31)12-24(25)32)21-13-26-22-14-28-27(38-17-39-28)10-18(22)4-5-35(26)16-23(21)30(29)36/h2-3,10-14,16H,4-9,15,17H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451265 (CHEMBL4203463) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2C)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C32H33N3O4/c1-20-4-5-27(21(2)12-20)34-10-8-33(9-11-34)17-23-14-31(37-3)32(36)26-18-35-7-6-22-13-29-30(39-19-38-29)16-25(22)28(35)15-24(23)26/h4-5,12-16,18H,6-11,17,19H2,1-3H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451258 (CHEMBL4214276) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(F)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28FN3O4/c1-36-29-13-20(16-32-8-10-33(11-9-32)22-4-2-21(31)3-5-22)23-14-26-24-15-28-27(37-18-38-28)12-19(24)6-7-34(26)17-25(23)30(29)35/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					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
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451254 (CHEMBL3233169) Show SMILES [Cl-].COc1cc(CN2CCOCC2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C24H24N2O5/c1-28-23-9-16(12-25-4-6-29-7-5-25)17-10-20-18-11-22-21(30-14-31-22)8-15(18)2-3-26(20)13-19(17)24(23)27/h8-11,13H,2-7,12,14H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451260 (CHEMBL4208751) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(OC(F)(F)F)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C31H28F3N3O5/c1-39-29-13-20(16-35-8-10-36(11-9-35)21-2-4-22(5-3-21)42-31(32,33)34)23-14-26-24-15-28-27(40-18-41-28)12-19(24)6-7-37(26)17-25(23)30(29)38/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451272 (CHEMBL4212505) Show SMILES [Cl-].COc1cc(Cn2c3ccccc3c3ccccc23)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C32H24N2O4/c1-36-31-13-20(16-34-26-8-4-2-6-21(26)22-7-3-5-9-27(22)34)23-14-28-24-15-30-29(37-18-38-30)12-19(24)10-11-33(28)17-25(23)32(31)35/h2-9,12-15,17H,10-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451270 (CHEMBL4205600) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C37H35N3O4/c1-42-35-19-28(22-38-14-16-39(17-15-38)36(25-8-4-2-5-9-25)26-10-6-3-7-11-26)29-20-32-30-21-34-33(43-24-44-34)18-27(30)12-13-40(32)23-31(29)37(35)41/h2-11,18-21,23,36H,12-17,22,24H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					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))	BDBM50109592 ((S)2-Isopropylamino-3-mercapto-propionic acid | CH...) Show SMILES CC(C)N[C@H](CS)C(O)=O Show InChI InChI=1S/C6H13NO2S/c1-4(2)7-5(3-10)6(8)9/h4-5,7,10H,3H2,1-2H3,(H,8,9)/t5-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.				J Med Chem 45: 911-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BJD
					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
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451269 (CHEMBL4213528) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)C(=O)c2ccccc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C31H29N3O5/c1-37-29-14-22(17-32-9-11-33(12-10-32)31(36)20-5-3-2-4-6-20)23-15-26-24-16-28-27(38-19-39-28)13-21(24)7-8-34(26)18-25(23)30(29)35/h2-6,13-16,18H,7-12,17,19H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					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))	BDBM50109589 ((R)3-Mercapto-2-phenethylamino-propionic acid | CH...) Show SMILES OC(=O)[C@H](CS)NCCc1ccccc1 Show InChI InChI=1S/C11H15NO2S/c13-11(14)10(8-15)12-7-6-9-4-2-1-3-5-9/h1-5,10,12,15H,6-8H2,(H,13,14)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	610	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 Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.				J Med Chem 45: 911-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BJD
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50121272 ((2S)-2-[(aminosulfonyl)amino]-3-phenylpropanoic ac...) Show SMILES NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB PubMed	650	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 Inhibitory activity of the compound against Carboxypeptidase A				J Med Chem 45: 5295-302 (2002) BindingDB Entry DOI: 10.7270/Q2BR8RJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451271 (CHEMBL3233166) Show SMILES [Cl-].COc1cc(CN2CCCCC2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C25H26N2O4/c1-29-24-10-17(13-26-6-3-2-4-7-26)18-11-21-19-12-23-22(30-15-31-23)9-16(19)5-8-27(21)14-20(18)25(24)28/h9-12,14H,2-8,13,15H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50109580 (3-Mercapto-2-[(naphthalen-1-ylmethyl)-amino]-propi...) Show SMILES OC(=O)C(CS)NCc1cccc2ccccc12 Show InChI InChI=1S/C14H15NO2S/c16-14(17)13(9-18)15-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13,15,18H,8-9H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	810	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 Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.				J Med Chem 45: 911-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BJD
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50109601 (3-Mercapto-2-(4-methoxy-benzylamino)-propionic aci...) Show SMILES COc1ccc(CNC(CS)C(O)=O)cc1 Show InChI InChI=1S/C11H15NO3S/c1-15-9-4-2-8(3-5-9)6-12-10(7-16)11(13)14/h2-5,10,12,16H,6-7H2,1H3,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	850	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 Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.				J Med Chem 45: 911-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BJD
					More data for this Ligand-Target Pair

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