BDBM50105428 CHEMBL91608::[1-Hydroxycarbamoyl-2-(4-phenylsulfanyl-benzenesulfonyl)-ethyl]-carbamic acid benzyl ester

SMILES: ONC(=O)C(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=XNXRFZXNILAYGC-UHFFFAOYSA-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 = 50105428   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50105428 (CHEMBL91608 | [1-Hydroxycarbamoyl-2-(4-phenylsulfa...) Show SMILES ONC(=O)C(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C23H22N2O6S2/c26-22(25-28)21(24-23(27)31-15-17-7-3-1-4-8-17)16-33(29,30)20-13-11-19(12-14-20)32-18-9-5-2-6-10-18/h1-14,21,28H,15-16H2,(H,24,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 2719-22 (2001) BindingDB Entry DOI: 10.7270/Q2TD9WNW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50105428 (CHEMBL91608 | [1-Hydroxycarbamoyl-2-(4-phenylsulfa...) Show SMILES ONC(=O)C(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C23H22N2O6S2/c26-22(25-28)21(24-23(27)31-15-17-7-3-1-4-8-17)16-33(29,30)20-13-11-19(12-14-20)32-18-9-5-2-6-10-18/h1-14,21,28H,15-16H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 2719-22 (2001) BindingDB Entry DOI: 10.7270/Q2TD9WNW
					More data for this Ligand-Target Pair