BindingDB PrimarySearch

BDBM50104969 (R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-succinamide::CHEMBL45483::N*4*-Hydroxy-2-isobutyl-N*1*-[2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-succinamide::N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE::SC-44463

SMILES: CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO

InChI Key: InChIKey=QYZPDCGWIJYZMN-ZBFHGGJFSA-N

Data: 9 KI 5 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50104969
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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 44: 3347-50 (2001) BindingDB Entry DOI: 10.7270/Q2057F7H
The DuPont Pharmaceuticals Company Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-2				J Med Chem 44: 3347-50 (2001) BindingDB Entry DOI: 10.7270/Q2057F7H
The DuPont Pharmaceuticals Company Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease-9				J Med Chem 44: 3347-50 (2001) BindingDB Entry DOI: 10.7270/Q2057F7H
The DuPont Pharmaceuticals Company Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-1				J Med Chem 44: 3347-50 (2001) BindingDB Entry DOI: 10.7270/Q2057F7H
The DuPont Pharmaceuticals Company Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)				Bioorg Med Chem Lett 5: 337-342 (1995) Article DOI: 10.1016/0960-894X(95)00031-N BindingDB Entry DOI: 10.7270/Q2P55NH1
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 7: 2331-2336 (1997) Article DOI: 10.1016/S0960-894X(97)00182-0 BindingDB Entry DOI: 10.7270/Q2TH8MQ4
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-2 (MMP-2)				Bioorg Med Chem Lett 7: 2331-2336 (1997) Article DOI: 10.1016/S0960-894X(97)00182-0 BindingDB Entry DOI: 10.7270/Q2TH8MQ4
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 7: 2331-2336 (1997) Article DOI: 10.1016/S0960-894X(97)00182-0 BindingDB Entry DOI: 10.7270/Q2TH8MQ4
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-9				Bioorg Med Chem Lett 7: 2331-2336 (1997) Article DOI: 10.1016/S0960-894X(97)00182-0 BindingDB Entry DOI: 10.7270/Q2TH8MQ4
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease-7 (MMP-7)				J Med Chem 46: 3514-25 (2003) Article DOI: 10.1021/jm0308038 BindingDB Entry DOI: 10.7270/Q24F1Q3R
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloprotease-1 (MMP-1)				J Med Chem 46: 3514-25 (2003) Article DOI: 10.1021/jm0308038 BindingDB Entry DOI: 10.7270/Q24F1Q3R
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Matrix Metallo Proteinase-1(MMP-1)				Bioorg Med Chem Lett 6: 1719-1724 (1996) Article DOI: 10.1016/0960-894X(96)00303-4 BindingDB Entry DOI: 10.7270/Q23X86K0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 3514-25 (2003) Article DOI: 10.1021/jm0308038 BindingDB Entry DOI: 10.7270/Q24F1Q3R
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50104969 ((R)-N4-Hydroxy-2-isobutyl-N1-[(S)-2-(4-methoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease-3 (MMP-3)				J Med Chem 46: 3514-25 (2003) Article DOI: 10.1021/jm0308038 BindingDB Entry DOI: 10.7270/Q24F1Q3R
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair