BDBM50267320 (R)-5-(4-Chloro-2-fluorobenzylamino)-5-oxo-4-(3,4,5-trimethoxybenzamido)pentanoic acid::CHEMBL514379

SMILES: COc1cc(cc(OC)c1OC)C(=O)N[C@H](CCC(O)=O)C(=O)NCc1ccc(Cl)cc1F

InChI Key: InChIKey=CHEGCBAIFIIJMZ-MRXNPFEDSA-N

Data: 2 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 2 hits for monomerid = 50267320   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50267320 ((R)-5-(4-Chloro-2-fluorobenzylamino)-5-oxo-4-(3,4,...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H](CCC(O)=O)C(=O)NCc1ccc(Cl)cc1F |r| Show InChI InChI=1S/C22H24ClFN2O7/c1-31-17-8-13(9-18(32-2)20(17)33-3)21(29)26-16(6-7-19(27)28)22(30)25-11-12-4-5-14(23)10-15(12)24/h4-5,8-10,16H,6-7,11H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)/t16-/m1/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	5.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 by spectrophotometry				Bioorg Med Chem 17: 3053-60 (2009) Article DOI: 10.1016/j.bmc.2009.02.063 BindingDB Entry DOI: 10.7270/Q2NP25BQ
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50267320 ((R)-5-(4-Chloro-2-fluorobenzylamino)-5-oxo-4-(3,4,...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H](CCC(O)=O)C(=O)NCc1ccc(Cl)cc1F |r| Show InChI InChI=1S/C22H24ClFN2O7/c1-31-17-8-13(9-18(32-2)20(17)33-3)21(29)26-16(6-7-19(27)28)22(30)25-11-12-4-5-14(23)10-15(12)24/h4-5,8-10,16H,6-7,11H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of pig kidney microsome aminopeptidase N by UV-visible spectrophotometer				Bioorg Med Chem 17: 3053-60 (2009) Article DOI: 10.1016/j.bmc.2009.02.063 BindingDB Entry DOI: 10.7270/Q2NP25BQ
					More data for this Ligand-Target Pair