BDBM50103986 4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoyl)-methyl]-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-butyramide::CHEMBL407443

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO

InChI Key: InChIKey=PONKMSIAUNHYAM-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 = 50103986   

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))	BDBM50103986 (4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H35N3O8S2/c1-38-23-9-11-26(12-10-23)42(36,37)32(19-28(33)30-18-22-15-24(39-2)17-25(16-22)40-3)27(29(34)31-35)13-14-41-20-21-7-5-4-6-8-21/h4-12,15-17,27,35H,13-14,18-20H2,1-3H3,(H,30,33)(H,31,34)	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	0.600	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50103986 (4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H35N3O8S2/c1-38-23-9-11-26(12-10-23)42(36,37)32(19-28(33)30-18-22-15-24(39-2)17-25(16-22)40-3)27(29(34)31-35)13-14-41-20-21-7-5-4-6-8-21/h4-12,15-17,27,35H,13-14,18-20H2,1-3H3,(H,30,33)(H,31,34)	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	4.70	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50103986 (4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H35N3O8S2/c1-38-23-9-11-26(12-10-23)42(36,37)32(19-28(33)30-18-22-15-24(39-2)17-25(16-22)40-3)27(29(34)31-35)13-14-41-20-21-7-5-4-6-8-21/h4-12,15-17,27,35H,13-14,18-20H2,1-3H3,(H,30,33)(H,31,34)	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	36	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50103986 (4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H35N3O8S2/c1-38-23-9-11-26(12-10-23)42(36,37)32(19-28(33)30-18-22-15-24(39-2)17-25(16-22)40-3)27(29(34)31-35)13-14-41-20-21-7-5-4-6-8-21/h4-12,15-17,27,35H,13-14,18-20H2,1-3H3,(H,30,33)(H,31,34)	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))	BDBM50103986 (4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H35N3O8S2/c1-38-23-9-11-26(12-10-23)42(36,37)32(19-28(33)30-18-22-15-24(39-2)17-25(16-22)40-3)27(29(34)31-35)13-14-41-20-21-7-5-4-6-8-21/h4-12,15-17,27,35H,13-14,18-20H2,1-3H3,(H,30,33)(H,31,34)	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	2.30	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