BDBM50181006 (S)-4-(4-(but-3-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide::CHEMBL206688

SMILES: CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCCC#C)cc1

InChI Key: InChIKey=ZWHGUGYVAMXPJZ-HNNXBMFYSA-N

Data: 3 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 3 hits for monomerid = 50181006   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50181006 ((S)-4-(4-(but-3-ynyloxy)phenylsulfonyl)-N-hydroxy-...) Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCCC#C)cc1 Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h1,6-9,15,21H,5,10-12H2,2-3H3,(H,18,20)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 1605-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.020 BindingDB Entry DOI: 10.7270/Q2GF0T3Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50181006 ((S)-4-(4-(but-3-ynyloxy)phenylsulfonyl)-N-hydroxy-...) Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCCC#C)cc1 Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h1,6-9,15,21H,5,10-12H2,2-3H3,(H,18,20)/t15-/m0/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem Lett 16: 1605-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.020 BindingDB Entry DOI: 10.7270/Q2GF0T3Q
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50181006 ((S)-4-(4-(but-3-ynyloxy)phenylsulfonyl)-N-hydroxy-...) Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCCC#C)cc1 Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h1,6-9,15,21H,5,10-12H2,2-3H3,(H,18,20)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 16: 1605-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.020 BindingDB Entry DOI: 10.7270/Q2GF0T3Q
					More data for this Ligand-Target Pair