BindingDB PrimarySearch

BDBM50181008 (S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenylsulfonyl)-2,2-dimethylthiomorpholine-3-carboxamide::CHEMBL206815::TMI-05::US9266848, Apratastat::US9365529, Apratastat

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

InChI Key: InChIKey=MAVDNGWEBZTACC-HNNXBMFYSA-N

Data: 22 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50181008
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Stromelysin-1 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...				US Patent US9266848 (2016) BindingDB Entry DOI: 10.7270/Q2TM78ZS
GALDERMA RESEARCH & DEVELOPMENT US Patent					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of TACE in human PBMC assessed as inhibition of TNFalpha production				Bioorg Med Chem Lett 27: 1848-1853 (2017) Article DOI: 10.1016/j.bmcl.2017.02.035 BindingDB Entry DOI: 10.7270/Q28S4S59
Nestl� Skin Health R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9) (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...				US Patent US9266848 (2016) BindingDB Entry DOI: 10.7270/Q2TM78ZS
GALDERMA RESEARCH & DEVELOPMENT US Patent					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...				US Patent US9266848 (2016) BindingDB Entry DOI: 10.7270/Q2TM78ZS
GALDERMA RESEARCH & DEVELOPMENT US Patent					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The TACE enzyme is an internal production (carried out according to the publication Protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...				US Patent US9266848 (2016) BindingDB Entry DOI: 10.7270/Q2TM78ZS
GALDERMA RESEARCH & DEVELOPMENT US Patent					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...				US Patent US9266848 (2016) BindingDB Entry DOI: 10.7270/Q2TM78ZS
GALDERMA RESEARCH & DEVELOPMENT US Patent					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVLOPMENT US Patent					Assay Description The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
GALDERMA RESEARCH & DEVLOPMENT US Patent					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVLOPMENT US Patent					Assay Description The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
GALDERMA RESEARCH & DEVLOPMENT US Patent					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVLOPMENT US Patent					Assay Description The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
GALDERMA RESEARCH & DEVLOPMENT US Patent					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9) (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVLOPMENT US Patent					Assay Description The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
GALDERMA RESEARCH & DEVLOPMENT US Patent					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVLOPMENT US Patent					Assay Description The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
GALDERMA RESEARCH & DEVLOPMENT US Patent					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	37
GALDERMA RESEARCH & DEVLOPMENT US Patent					Assay Description The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel 2006, 19, 155-161) and is added so as to have...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
GALDERMA RESEARCH & DEVLOPMENT US Patent					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of LPS-stimulated TNF production in human whole blood				Bioorg Med Chem Lett 16: 1605-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.020 BindingDB Entry DOI: 10.7270/Q2GF0T3Q
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem 17: 444-59 (2009) Article DOI: 10.1016/j.bmc.2008.11.067 BindingDB Entry DOI: 10.7270/Q2WH2QWZ
The M. S. University of Baroda Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of LPS-stimulated TNF production in THP cells at 1 uM				Bioorg Med Chem Lett 16: 1605-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.020 BindingDB Entry DOI: 10.7270/Q2GF0T3Q
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of TACE in NHEK assessed as reduction in LPS/TPA-stimulated TNFalpha production preincubated for 1 hr followed by LPS/TPA stimulation for ...				Bioorg Med Chem Lett 27: 1848-1853 (2017) Article DOI: 10.1016/j.bmcl.2017.02.035 BindingDB Entry DOI: 10.7270/Q28S4S59
Nestl� Skin Health R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of TACE in NHEK assessed as reduction in LPS/TPA-stimulated TNFalpha production preincubated for 1 hr followed by LPS/TPA stimulation for ...				Bioorg Med Chem Lett 27: 1848-1853 (2017) Article DOI: 10.1016/j.bmcl.2017.02.035 BindingDB Entry DOI: 10.7270/Q28S4S59
Nestl� Skin Health R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter				Bioorg Med Chem Lett 27: 1848-1853 (2017) Article DOI: 10.1016/j.bmcl.2017.02.035 BindingDB Entry DOI: 10.7270/Q28S4S59
Nestl� Skin Health R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50181008 ((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...				US Patent US9266848 (2016) BindingDB Entry DOI: 10.7270/Q2TM78ZS
GALDERMA RESEARCH & DEVELOPMENT US Patent					More data for this Ligand-Target Pair