BindingDB PrimarySearch

BDBM50183784 (2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)succinamide::(2S,3R)-N4-((S)-2,2-dimethyl-1-methylcarbamoyl-propyl)-N1-hydroxy-2-hydroxymethyl-3-(4-methoxy-phenyl)-succinamide::CHEMBL72511::N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-N*1*-hydroxy-2-hydroxymethyl-3-(4-methoxy-phenyl)-succinamide::PKF-242-484::TNF-484

SMILES: CNC(=O)[C@@H](NC(=O)[C@@H]([C@H](CO)C(=O)NO)c1ccc(OC)cc1)C(C)(C)C

InChI Key: InChIKey=IOLRUMINDIUCLJ-RRFJBIMHSA-N

Data: 8 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50183784
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
Collagenase 3 (Homo sapiens (Human))	BDBM50183784 ((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to recombinant MMP13				Bioorg Med Chem Lett 16: 2632-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.042 BindingDB Entry DOI: 10.7270/Q2JS9Q12
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50183784 ((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Preclinical Research Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory potency against Matrix metalloprotease-2 (MMP-2)				J Med Chem 45: 2289-93 (2002) Article DOI: 10.1021/jm0110993 BindingDB Entry DOI: 10.7270/Q2HQ42NC
Preclinical Research Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50183784 ((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to recombinant TACE				Bioorg Med Chem Lett 16: 2632-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.042 BindingDB Entry DOI: 10.7270/Q2JS9Q12
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50183784 ((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Preclinical Research Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory potency against Tumor necrosis factor alpha converting enzyme (TACE)				J Med Chem 45: 2289-93 (2002) Article DOI: 10.1021/jm0110993 BindingDB Entry DOI: 10.7270/Q2HQ42NC
Preclinical Research Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase (2 and 3) (Homo sapiens (Human))	BDBM50183784 ((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Preclinical Research Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory potency against Matrix metalloprotease-3 (MMP-3)				J Med Chem 45: 2289-93 (2002) Article DOI: 10.1021/jm0110993 BindingDB Entry DOI: 10.7270/Q2HQ42NC
Preclinical Research Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50183784 ((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to recombinant MMP3				Bioorg Med Chem Lett 16: 2632-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.042 BindingDB Entry DOI: 10.7270/Q2JS9Q12
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50183784 ((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to recombinant MMP1				Bioorg Med Chem Lett 16: 2632-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.042 BindingDB Entry DOI: 10.7270/Q2JS9Q12
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50183784 ((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Preclinical Research Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory potency against Matrix metalloprotease-1 (MMP-1)				J Med Chem 45: 2289-93 (2002) Article DOI: 10.1021/jm0110993 BindingDB Entry DOI: 10.7270/Q2HQ42NC
Preclinical Research Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair
TNF-alpha (Homo sapiens (Human))	BDBM50183784 ((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...) Show SMILES Show InChI	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Preclinical Research Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against tumor necrosis factor alpha (TNF-alpha) production in LPS-stimulated human PBMCs				J Med Chem 45: 2289-93 (2002) Article DOI: 10.1021/jm0110993 BindingDB Entry DOI: 10.7270/Q2HQ42NC
Preclinical Research Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50183784 ((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...) Show SMILES Show InChI	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	56	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 in human PBMC				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))	BDBM50183784 ((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...) Show SMILES Show InChI	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of LPS/interferon gamma-stimulated TNFalpha release from HPBMC				Bioorg Med Chem Lett 16: 2632-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.042 BindingDB Entry DOI: 10.7270/Q2JS9Q12
					More data for this Ligand-Target Pair