BDBM50267433 (R)-5-(2-Chloroethylamino)-5-oxo-4-(3,4,5-trimethoxybenzamido)pentanoic acid::CHEMBL476868

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

InChI Key: InChIKey=HSLSHFAHKZFSOL-LLVKDONJSA-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 = 50267433   

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))	BDBM50267433 ((R)-5-(2-Chloroethylamino)-5-oxo-4-(3,4,5-trimetho...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H](CCC(O)=O)C(=O)NCCCl |r| Show InChI InChI=1S/C17H23ClN2O7/c1-25-12-8-10(9-13(26-2)15(12)27-3)16(23)20-11(4-5-14(21)22)17(24)19-7-6-18/h8-9,11H,4-7H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t11-/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	5.02E+5	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))	BDBM50267433 ((R)-5-(2-Chloroethylamino)-5-oxo-4-(3,4,5-trimetho...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H](CCC(O)=O)C(=O)NCCCl |r| Show InChI InChI=1S/C17H23ClN2O7/c1-25-12-8-10(9-13(26-2)15(12)27-3)16(23)20-11(4-5-14(21)22)17(24)19-7-6-18/h8-9,11H,4-7H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.05E+5	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