Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50038069'   

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))	BDBM50038069 ((S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylamino)-3-...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)/t9-,12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Proteus Molecular Design Ltd. Curated by ChEMBL					Assay Description Inhibition against ACE.				J Med Chem 37: 3994-4002 (1994) BindingDB Entry DOI: 10.7270/Q2XW4HWB
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50038069 ((S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylamino)-3-...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)/t9-,12-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rabbit lung ACE preincubated for 5 mins by spectrophotometric assay				Eur J Med Chem 46: 3428-33 (2011) Article DOI: 10.1016/j.ejmech.2011.05.007 BindingDB Entry DOI: 10.7270/Q2DR2VV7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50038069 ((S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylamino)-3-...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)/t9-,12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Biological activity was measured against Angiotensin I converting enzyme				J Med Chem 38: 2705-13 (1995) BindingDB Entry DOI: 10.7270/Q2GX4CSN
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50038069 ((S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylamino)-3-...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)/t9-,12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.16E+6	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Eur J Med Chem 84: 100-6 (2014) Article DOI: 10.1016/j.ejmech.2014.07.015 BindingDB Entry DOI: 10.7270/Q29025F2
					More data for this Ligand-Target Pair