BindingDB PrimarySearch

BDBM50063920 (R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propyl)-N*4*-hydroxy-2-isobutyl-succinamide::(R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-isobutylsuccinamide::CHEMBL16520::Ro-31-9790

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C

InChI Key: InChIKey=QRXOZHSEEGNRFC-ZYHUDNBSSA-N

Data: 4 KI 11 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50063920
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
Interstitial collagenase (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 2147-51 (2001) BindingDB Entry DOI: 10.7270/Q2QZ298V
GlaxoSmithKline Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-9				Bioorg Med Chem Lett 11: 2147-51 (2001) BindingDB Entry DOI: 10.7270/Q2QZ298V
GlaxoSmithKline Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of TNF-alpha converting enzyme (TACE)				Bioorg Med Chem Lett 11: 2147-51 (2001) BindingDB Entry DOI: 10.7270/Q2QZ298V
GlaxoSmithKline Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-3				Bioorg Med Chem Lett 11: 2147-51 (2001) BindingDB Entry DOI: 10.7270/Q2QZ298V
GlaxoSmithKline Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Kanebo Ltd. Curated by ChEMBL					Assay Description Activity against Matrix metalloproteinase-2 (MMP-2).				J Med Chem 41: 1209-17 (1998) Article DOI: 10.1021/jm970404a BindingDB Entry DOI: 10.7270/Q2SQ8ZHB
Kanebo Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kanebo Ltd. Curated by ChEMBL					Assay Description Activity against Matrix metalloproteinase-1 (MMP-1).				J Med Chem 41: 1209-17 (1998) Article DOI: 10.1021/jm970404a BindingDB Entry DOI: 10.7270/Q2SQ8ZHB
Kanebo Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1, Collagenase-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3, stromelysin-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Kanebo Ltd. Curated by ChEMBL					Assay Description Activity against deletion mutant of MT1-MMP lacking the transmembrane domain (deltaMT1)				J Med Chem 41: 1209-17 (1998) Article DOI: 10.1021/jm970404a BindingDB Entry DOI: 10.7270/Q2SQ8ZHB
Kanebo Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.				J Med Chem 42: 4890-908 (1999) BindingDB Entry DOI: 10.7270/Q2HM57NS
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against MMP-1 (Matrix metalloproteinase-1)				J Med Chem 42: 4890-908 (1999) BindingDB Entry DOI: 10.7270/Q2HM57NS
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, gelatinase-B				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of human MMP1				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
Pomona College Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Kanebo Ltd. Curated by ChEMBL					Assay Description Activity against Matrix metalloproteinase-9 (MMP-9).				J Med Chem 41: 1209-17 (1998) Article DOI: 10.1021/jm970404a BindingDB Entry DOI: 10.7270/Q2SQ8ZHB
Kanebo Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50063920 ((R)-N1-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of TNF(tumor necrosis factor) in human blood				J Med Chem 42: 4890-908 (1999) BindingDB Entry DOI: 10.7270/Q2HM57NS
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair