BindingDB PrimarySearch

BDBM50291705 (S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methoxy-phenyl)-phosphinic acid 3,3,3-trifluoro-propyl ester::CHEMBL64689

SMILES: COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO

InChI Key: InChIKey=SLHHOJZYTMNFRR-WTPASJBYSA-N

Data: 10 KI 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50291705
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))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) 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	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-1 (MMP-1)				J Med Chem 45: 930-6 (2002) BindingDB Entry DOI: 10.7270/Q2QV3KS7
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) 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	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibitory constant against recombinant human Matrix metalloproteinase-1				Bioorg Med Chem Lett 12: 581-4 (2002) BindingDB Entry DOI: 10.7270/Q2K64HCM
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) 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	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibitory constant against recombinant human Matrix metalloproteinase-1				Bioorg Med Chem Lett 12: 581-4 (2002) BindingDB Entry DOI: 10.7270/Q2K64HCM
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) 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	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-3 (MMP-3)				J Med Chem 45: 930-6 (2002) BindingDB Entry DOI: 10.7270/Q2QV3KS7
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) 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	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-9 (MMP-9)				J Med Chem 45: 930-6 (2002) BindingDB Entry DOI: 10.7270/Q2QV3KS7
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) 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	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)				Bioorg Med Chem Lett 12: 581-4 (2002) BindingDB Entry DOI: 10.7270/Q2K64HCM
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) 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	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibition of recombinant human matrix metalloproteinase-1				Bioorg Med Chem Lett 13: 2021-4 (2003) BindingDB Entry DOI: 10.7270/Q2KW5FFZ
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) 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	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibitory constant against recombinant human Matrix metalloproteinase-1				Bioorg Med Chem Lett 12: 581-4 (2002) BindingDB Entry DOI: 10.7270/Q2K64HCM
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) 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	411	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)				Bioorg Med Chem Lett 12: 581-4 (2002) BindingDB Entry DOI: 10.7270/Q2K64HCM
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) 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	>650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)				Bioorg Med Chem Lett 12: 581-4 (2002) BindingDB Entry DOI: 10.7270/Q2K64HCM
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) 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	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibition of heparin-binding epidermal growth factor (HB-EGF) shedding				J Med Chem 45: 930-6 (2002) BindingDB Entry DOI: 10.7270/Q2QV3KS7
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair
Amphiregulin (Homo sapiens (Human))	BDBM50291705 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description In vitro amphiregulin shedding inhibition				J Med Chem 45: 930-6 (2002) BindingDB Entry DOI: 10.7270/Q2QV3KS7
Organon K.K. Curated by ChEMBL					More data for this Ligand-Target Pair