Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.4 BDBM50022751

Wt: 324.4 BDBM50046317

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

Found 7 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
Aminopeptidase B (Rattus norvegicus)	BDBM50022751 (2-(3-Amino-2-mercapto-4-phenyl-butyrylamino)-4-met...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-13(16(20)21)18-15(19)14(22)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,22H,8-9,17H2,1-2H3,(H,18,19)(H,20,21)/t12-,13+,14+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibitory activity against aminopeptidase B				J Med Chem 31: 2193-9 (1988) BindingDB Entry DOI: 10.7270/Q2Z038RM
					More data for this Ligand-Target Pair
Aminopeptidase B (Rattus norvegicus)	BDBM50022751 (2-(3-Amino-2-mercapto-4-phenyl-butyrylamino)-4-met...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-13(16(20)21)18-15(19)14(22)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,22H,8-9,17H2,1-2H3,(H,18,19)(H,20,21)/t12-,13+,14+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibitory activity against aminopeptidase B				J Med Chem 31: 2193-9 (1988) BindingDB Entry DOI: 10.7270/Q2Z038RM
					More data for this Ligand-Target Pair
Cytosol aminopeptidase (Homo sapiens (Human))	BDBM50022751 (2-(3-Amino-2-mercapto-4-phenyl-butyrylamino)-4-met...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-13(16(20)21)18-15(19)14(22)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,22H,8-9,17H2,1-2H3,(H,18,19)(H,20,21)/t12-,13+,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibitory activity against Aminopeptidase M				J Med Chem 31: 2193-9 (1988) BindingDB Entry DOI: 10.7270/Q2Z038RM
					More data for this Ligand-Target Pair
Cytosol aminopeptidase (Homo sapiens (Human))	BDBM50022751 (2-(3-Amino-2-mercapto-4-phenyl-butyrylamino)-4-met...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-13(16(20)21)18-15(19)14(22)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,22H,8-9,17H2,1-2H3,(H,18,19)(H,20,21)/t12-,13+,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibitory activity against Leucine aminopeptidase				J Med Chem 31: 2193-9 (1988) BindingDB Entry DOI: 10.7270/Q2Z038RM
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50022751 (2-(3-Amino-2-mercapto-4-phenyl-butyrylamino)-4-met...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-13(16(20)21)18-15(19)14(22)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,22H,8-9,17H2,1-2H3,(H,18,19)(H,20,21)/t12-,13+,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibitory activity against Aminopeptidase M				J Med Chem 31: 2193-9 (1988) BindingDB Entry DOI: 10.7270/Q2Z038RM
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50022751 (2-(3-Amino-2-mercapto-4-phenyl-butyrylamino)-4-met...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-13(16(20)21)18-15(19)14(22)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,22H,8-9,17H2,1-2H3,(H,18,19)(H,20,21)/t12-,13+,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibitory activity against aminopeptidase B				J Med Chem 31: 2193-9 (1988) BindingDB Entry DOI: 10.7270/Q2Z038RM
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50046317 (2-(3-Amino-2-mercapto-4-phenyl-butyrylamino)-4-met...) Show SMILES CC(C)C[C@H](NC(=O)C(S)C(N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-13(16(20)21)18-15(19)14(22)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,22H,8-9,17H2,1-2H3,(H,18,19)(H,20,21)/t12?,13-,14?/m0/s1	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	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of amidase activity of LTA4 hydrolase purified from human leukocytes				J Med Chem 36: 211-20 (1993) BindingDB Entry DOI: 10.7270/Q2T152P3
					More data for this Ligand-Target Pair