BindingDB PrimarySearch

BDBM50064339 (9S,12R,13S)-12-Isobutyl-3,11-dioxo-1-oxa-4,10-diaza-cyclotridecane-9,13-dicarboxylic acid 13-hydroxyamide 9-methylamide::12-Isobutyl-3,11-dioxo-1-oxa-4,10-diaza-cyclotridecane-9,13-dicarboxylic acid 13-hydroxyamide 9-methylamide (SC903)::CHEMBL48258

SMILES: CNC(=O)[C@@H]1CCCCNC(=O)CO[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO

InChI Key: InChIKey=PGWQPFWCLKSUIC-DYEKYZERSA-N

Data: 6 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50064339
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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50064339 ((9S,12R,13S)-12-Isobutyl-3,11-dioxo-1-oxa-4,10-dia...) 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	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of MMP-9 (Matrix metalloproteinase-9)				J Med Chem 41: 1745-8 (1998) Article DOI: 10.1021/jm970849z BindingDB Entry DOI: 10.7270/Q2GB235N
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50064339 ((9S,12R,13S)-12-Isobutyl-3,11-dioxo-1-oxa-4,10-dia...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-9.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
DuPont Pharmaceuticals Company Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50064339 ((9S,12R,13S)-12-Isobutyl-3,11-dioxo-1-oxa-4,10-dia...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-1.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
DuPont Pharmaceuticals Company Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50064339 ((9S,12R,13S)-12-Isobutyl-3,11-dioxo-1-oxa-4,10-dia...) 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	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of MMP-1 (Matrix metalloproteinase-1)				J Med Chem 41: 1745-8 (1998) Article DOI: 10.1021/jm970849z BindingDB Entry DOI: 10.7270/Q2GB235N
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50064339 ((9S,12R,13S)-12-Isobutyl-3,11-dioxo-1-oxa-4,10-dia...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human MMP-3.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
DuPont Pharmaceuticals Company Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50064339 ((9S,12R,13S)-12-Isobutyl-3,11-dioxo-1-oxa-4,10-dia...) 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	24.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of MMP-3 (Matrix metalloproteinase-3)				J Med Chem 41: 1745-8 (1998) Article DOI: 10.1021/jm970849z BindingDB Entry DOI: 10.7270/Q2GB235N
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50064339 ((9S,12R,13S)-12-Isobutyl-3,11-dioxo-1-oxa-4,10-dia...) 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	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of LPS-stimulated TNF-alpha release in human whole blood				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
DuPont Pharmaceuticals Company Curated by ChEMBL					More data for this Ligand-Target Pair