null

SMILES: CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O

InChI Key: InChIKey=JNRYHIIHOXLMCO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21464   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM21464 (2-benzyl-3-{[1-(2-acetamido-4-methylpentanoyl)pyrr...) Show SMILES CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:14| Show InChI InChI=1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-10,15,18-19,29-31H,7,11-14H2,1-3H3,(H,23,25)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.130	-13.5	n/a	n/a	n/a	n/a	n/a	6.8	25
University of Athens					Assay Description Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...				J Med Chem 51: 2216-2226 (2008) Article DOI: 10.1021/jm701275z BindingDB Entry DOI: 10.7270/Q2QF8R4J
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM21464 (2-benzyl-3-{[1-(2-acetamido-4-methylpentanoyl)pyrr...) Show SMILES CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:14| Show InChI InChI=1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-10,15,18-19,29-31H,7,11-14H2,1-3H3,(H,23,25)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens					Assay Description Inhibitor potencies toward bovine carboxypeptidase A (Sigma-Aldrich Co) were determined in 96-well microplates format. Activity was monitored by meas...				J Med Chem 51: 2216-2226 (2008) Article DOI: 10.1021/jm701275z BindingDB Entry DOI: 10.7270/Q2QF8R4J
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM21464 (2-benzyl-3-{[1-(2-acetamido-4-methylpentanoyl)pyrr...) Show SMILES CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:14| Show InChI InChI=1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-10,15,18-19,29-31H,7,11-14H2,1-3H3,(H,23,25)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	>-6.82	n/a	n/a	n/a	n/a	n/a	6.8	25
University of Athens					Assay Description Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...				J Med Chem 51: 2216-2226 (2008) Article DOI: 10.1021/jm701275z BindingDB Entry DOI: 10.7270/Q2QF8R4J
					More data for this Ligand-Target Pair