Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.2 BDBM50021116

Wt: 342.2 BDBM50027362

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

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
Renin (Homo sapiens (Human))	BDBM50027362 (1-[2-(Hydroxy-phenoxy-phosphorylamino)-propionyl]-...) Show SMILES C[C@H](NP(O)(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C14H19N2O6P/c1-10(13(17)16-9-5-8-12(16)14(18)19)15-23(20,21)22-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,18,19)(H2,15,20,21)/t10-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antihypertensive activity against human renin				J Med Chem 24: 355-61 (1981) BindingDB Entry DOI: 10.7270/Q2PC32XP
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021116 (CHEMBL33124 | dipotassium (2S)-1-{(2S)-2-[(phenoxy...) Show SMILES C[C@H](NP([O-])(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O Show InChI InChI=1S/C14H19N2O6P/c1-10(13(17)16-9-5-8-12(16)14(18)19)15-23(20,21)22-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,18,19)(H2,15,20,21)/p-2/t10-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5				J Med Chem 28: 1422-7 (1985) BindingDB Entry DOI: 10.7270/Q2Z60N24
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021116 (CHEMBL33124 | dipotassium (2S)-1-{(2S)-2-[(phenoxy...) Show SMILES C[C@H](NP([O-])(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O Show InChI InChI=1S/C14H19N2O6P/c1-10(13(17)16-9-5-8-12(16)14(18)19)15-23(20,21)22-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,18,19)(H2,15,20,21)/p-2/t10-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	8.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs at pH 8 in NaCl buffer				J Med Chem 28: 1422-7 (1985) BindingDB Entry DOI: 10.7270/Q2Z60N24
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021116 (CHEMBL33124 | dipotassium (2S)-1-{(2S)-2-[(phenoxy...) Show SMILES C[C@H](NP([O-])(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O Show InChI InChI=1S/C14H19N2O6P/c1-10(13(17)16-9-5-8-12(16)14(18)19)15-23(20,21)22-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,18,19)(H2,15,20,21)/p-2/t10-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+7	n/a	n/a	n/a	n/a	8.0	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Angiotensin I converting enzyme				J Med Chem 28: 1422-7 (1985) BindingDB Entry DOI: 10.7270/Q2Z60N24
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021116 (CHEMBL33124 | dipotassium (2S)-1-{(2S)-2-[(phenoxy...) Show SMILES C[C@H](NP([O-])(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O Show InChI InChI=1S/C14H19N2O6P/c1-10(13(17)16-9-5-8-12(16)14(18)19)15-23(20,21)22-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,18,19)(H2,15,20,21)/p-2/t10-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+8	n/a	n/a	n/a	n/a	8.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs at pH 8 in TRIS phosphate/borate buffer				J Med Chem 28: 1422-7 (1985) BindingDB Entry DOI: 10.7270/Q2Z60N24
					More data for this Ligand-Target Pair