BDBM21491 (2S)-2-{[(1S)-1-carboxy-2-[1-(2-cyclohexylpropan-2-yl)-1H-imidazol-5-yl]ethyl]amino}-4-methylpentanoic acid::Amino dicarboxylate analogue, 7

SMILES: CC(C)C[C@H](N[C@@H](Cc1cncn1C(C)(C)C1CCCCC1)C(O)=O)C(O)=O

InChI Key: InChIKey=UAKSHOFNSRIWSZ-ROUUACIJSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21491   

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))	BDBM21491 ((2S)-2-{[(1S)-1-carboxy-2-[1-(2-cyclohexylpropan-2...) Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1C(C)(C)C1CCCCC1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H35N3O4/c1-14(2)10-17(19(25)26)23-18(20(27)28)11-16-12-22-13-24(16)21(3,4)15-8-6-5-7-9-15/h12-15,17-18,23H,5-11H2,1-4H3,(H,25,26)(H,27,28)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	6.5	22
Millennium Pharmaceuticals					Assay Description Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...				J Am Chem Soc 124: 11852-3 (2002) Article DOI: 10.1021/ja0277226 BindingDB Entry DOI: 10.7270/Q2KP80FN
					More data for this Ligand-Target Pair
Angiotensin-Converting Enzyme (Sus scrofa (pig))	BDBM21491 ((2S)-2-{[(1S)-1-carboxy-2-[1-(2-cyclohexylpropan-2...) Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1C(C)(C)C1CCCCC1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H35N3O4/c1-14(2)10-17(19(25)26)23-18(20(27)28)11-16-12-22-13-24(16)21(3,4)15-8-6-5-7-9-15/h12-15,17-18,23H,5-11H2,1-4H3,(H,25,26)(H,27,28)/t17-,18-/m0/s1	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Millennium Pharmaceuticals					Assay Description Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...				J Am Chem Soc 124: 11852-3 (2002) Article DOI: 10.1021/ja0277226 BindingDB Entry DOI: 10.7270/Q2KP80FN
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM21491 ((2S)-2-{[(1S)-1-carboxy-2-[1-(2-cyclohexylpropan-2...) Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1C(C)(C)C1CCCCC1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H35N3O4/c1-14(2)10-17(19(25)26)23-18(20(27)28)11-16-12-22-13-24(16)21(3,4)15-8-6-5-7-9-15/h12-15,17-18,23H,5-11H2,1-4H3,(H,25,26)(H,27,28)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.5	22
Millennium Pharmaceuticals					Assay Description Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in ab...				J Am Chem Soc 124: 11852-3 (2002) Article DOI: 10.1021/ja0277226 BindingDB Entry DOI: 10.7270/Q2KP80FN
					More data for this Ligand-Target Pair