BDBM50077445 CHEMBL60579::[(R)-3-Hydroxycarbamoyl-2-(4-methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinolin-7-yl]-carbamic acid tert-butyl ester

SMILES: COc1ccc(cc1)S(=O)(=O)N1Cc2cc(NC(=O)OC(C)(C)C)ccc2C[C@@H]1C(=O)NO

InChI Key: InChIKey=PBJWRLBRUGJQMR-LJQANCHMSA-N

Data: 1 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 1 hit for monomerid = 50077445   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50077445 (CHEMBL60579 | [(R)-3-Hydroxycarbamoyl-2-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2cc(NC(=O)OC(C)(C)C)ccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C22H27N3O7S/c1-22(2,3)32-21(27)23-16-6-5-14-12-19(20(26)24-28)25(13-15(14)11-16)33(29,30)18-9-7-17(31-4)8-10-18/h5-11,19,28H,12-13H2,1-4H3,(H,23,27)(H,24,26)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibition of human neutrophil collagenase [Matrix Metalloprotease-8, MMP-8]				J Med Chem 42: 1908-20 (1999) Article DOI: 10.1021/jm980631s BindingDB Entry DOI: 10.7270/Q2251JV5
					More data for this Ligand-Target Pair