BDBM50103984 CHEMBL105535::N-Hydroxy-2-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-4-(pyridin-3-ylmethylsulfanyl)-butyramide

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccnc1)C(=O)NO

InChI Key: InChIKey=SSFOEYVZLXDDTG-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 = 50103984   

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))	BDBM50103984 (CHEMBL105535 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C21H29N3O5S2/c1-16(2)14-24(31(27,28)19-8-6-18(29-3)7-9-19)20(21(25)23-26)10-12-30-15-17-5-4-11-22-13-17/h4-9,11,13,16,20,26H,10,12,14-15H2,1-3H3,(H,23,25)	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	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-9				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))	BDBM50103984 (CHEMBL105535 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C21H29N3O5S2/c1-16(2)14-24(31(27,28)19-8-6-18(29-3)7-9-19)20(21(25)23-26)10-12-30-15-17-5-4-11-22-13-17/h4-9,11,13,16,20,26H,10,12,14-15H2,1-3H3,(H,23,25)	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	6.30	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-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))	BDBM50103984 (CHEMBL105535 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C21H29N3O5S2/c1-16(2)14-24(31(27,28)19-8-6-18(29-3)7-9-19)20(21(25)23-26)10-12-30-15-17-5-4-11-22-13-17/h4-9,11,13,16,20,26H,10,12,14-15H2,1-3H3,(H,23,25)	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	16	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50103984 (CHEMBL105535 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C21H29N3O5S2/c1-16(2)14-24(31(27,28)19-8-6-18(29-3)7-9-19)20(21(25)23-26)10-12-30-15-17-5-4-11-22-13-17/h4-9,11,13,16,20,26H,10,12,14-15H2,1-3H3,(H,23,25)	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	6.20	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50103984 (CHEMBL105535 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C21H29N3O5S2/c1-16(2)14-24(31(27,28)19-8-6-18(29-3)7-9-19)20(21(25)23-26)10-12-30-15-17-5-4-11-22-13-17/h4-9,11,13,16,20,26H,10,12,14-15H2,1-3H3,(H,23,25)	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	126	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