Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50006221   

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
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I converting enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate				J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50046266 (2-[2-(2-Benzyl-3-mercapto-butyrylamino)-3-methyl-p...) Show SMILES CCC(C)C(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C26H34N2O5S/c1-4-16(2)23(28-24(30)21(17(3)34)14-18-8-6-5-7-9-18)25(31)27-22(26(32)33)15-19-10-12-20(29)13-11-19/h5-13,16-17,21-23,29,34H,4,14-15H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I converting enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate				J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50046259 (2-[2-(2-Benzyl-3-mercapto-butyrylamino)-3-methyl-b...) Show SMILES CC(C)C(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C25H32N2O5S/c1-15(2)22(27-23(29)20(16(3)33)13-17-7-5-4-6-8-17)24(30)26-21(25(31)32)14-18-9-11-19(28)12-10-18/h4-12,15-16,20-22,28,33H,13-14H2,1-3H3,(H,26,30)(H,27,29)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I converting enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate				J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50046258 (3-(4-Hydroxy-phenyl)-2-[2-(3-mercapto-5-methyl-hex...) Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C25H32N2O5S/c1-16(2)12-20(33)15-23(29)26-21(13-17-6-4-3-5-7-17)24(30)27-22(25(31)32)14-18-8-10-19(28)11-9-18/h3-11,16,20-22,28,33H,12-15H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I converting enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate				J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50046257 (2-[2-(2-Benzyl-3-mercapto-butyrylamino)-hexanoylam...) Show SMILES CCCCC(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C26H34N2O5S/c1-3-4-10-22(27-24(30)21(17(2)34)15-18-8-6-5-7-9-18)25(31)28-23(26(32)33)16-19-11-13-20(29)14-12-19/h5-9,11-14,17,21-23,29,34H,3-4,10,15-16H2,1-2H3,(H,27,30)(H,28,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I converting enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate				J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50046260 ((2-Benzyl-3-mercapto-butyrylamino)-acetic acid | C...) Show SMILES CC(S)C(Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C13H17NO3S/c1-9(18)11(13(17)14-8-12(15)16)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,17)(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I converting enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate				J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK
					More data for this Ligand-Target Pair