BDBM50103989 4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-benzenesulfonyl)-amino]-butyramide::CHEMBL104599

SMILES: CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=XOOXBIFEOHDRHE-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50103989   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50103989 (4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...) Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-9				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50103989 (4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...) Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-1				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50103989 (4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...) Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-3				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50103989 (4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...) Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-2				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50103989 (4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...) Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-13				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair