BDBM50400546 CHEMBL2204945

SMILES: COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)cc1

InChI Key: InChIKey=GULAHLKWSRKKLP-LBPRGKRZSA-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 = 50400546   

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
Aminopeptidase N (Sus scrofa (Pig))	BDBM50400546 (CHEMBL2204945) Show SMILES COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)cc1 |r| Show InChI InChI=1S/C14H21N3O4/c1-9(2)8-12(13(18)17-20)16-14(19)15-10-4-6-11(21-3)7-5-10/h4-7,9,12,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of APN in porcine kidney microsome assessed as inhibition of L-Leu-p-nitroanilide substrate hydrolysis incubated for 5 mins before substra...				ACS Med Chem Lett 3: 959-964 (2012) Article DOI: 10.1021/ml3000758 BindingDB Entry DOI: 10.7270/Q2QJ7JFR
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50400546 (CHEMBL2204945) Show SMILES COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)cc1 |r| Show InChI InChI=1S/C14H21N3O4/c1-9(2)8-12(13(18)17-20)16-14(19)15-10-4-6-11(21-3)7-5-10/h4-7,9,12,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of APN in human ES2 cell surface assessed as inhibition of L-Leu-p-nitroanilide substrate hydrolysis incubated for 5 mins before substrate...				ACS Med Chem Lett 3: 959-964 (2012) Article DOI: 10.1021/ml3000758 BindingDB Entry DOI: 10.7270/Q2QJ7JFR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50400546 (CHEMBL2204945) Show SMILES COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)cc1 |r| Show InChI InChI=1S/C14H21N3O4/c1-9(2)8-12(13(18)17-20)16-14(19)15-10-4-6-11(21-3)7-5-10/h4-7,9,12,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant MMP-2 using succinylated gelatin as substrate incubated for 10 mins before addition of substrate measured after 60 mins by ...				ACS Med Chem Lett 3: 959-964 (2012) Article DOI: 10.1021/ml3000758 BindingDB Entry DOI: 10.7270/Q2QJ7JFR
					More data for this Ligand-Target Pair