BDBM50400541 CHEMBL2204950

SMILES: COc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1

InChI Key: InChIKey=VRQZXSUCWGBJIY-ZDUSSCGKSA-N

Data: 4 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 4 hits for monomerid = 50400541   

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))	BDBM50400541 (CHEMBL2204950) Show SMILES COc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1 |r| Show InChI InChI=1S/C15H23N3O4/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-11-5-4-6-12(8-11)22-3/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	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))	BDBM50400541 (CHEMBL2204950) Show SMILES COc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1 |r| Show InChI InChI=1S/C15H23N3O4/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-11-5-4-6-12(8-11)22-3/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/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	790	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))	BDBM50400541 (CHEMBL2204950) Show SMILES COc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1 |r| Show InChI InChI=1S/C15H23N3O4/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-11-5-4-6-12(8-11)22-3/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/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
Aminopeptidase N (Mus musculus)	BDBM50400541 (CHEMBL2204950) Show SMILES COc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1 |r| Show InChI InChI=1S/C15H23N3O4/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-11-5-4-6-12(8-11)22-3/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mouse APN				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