BDBM50291707 (S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methoxy-phenyl)-phosphinic acid 2-fluoro-ethyl ester::CHEMBL347021

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

InChI Key: InChIKey=KFUADVZPCULIED-KWMCUTETSA-N

Data: 9 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50291707   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Stromelysin-1 (Homo sapiens (Human))	BDBM50291707 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	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
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50291707 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	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
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50291707 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50291707 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50291707 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50291707 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50291707 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1	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 Matrix metalloproteinase-1				Bioorg Med Chem Lett 12: 581-4 (2002) BindingDB Entry DOI: 10.7270/Q2K64HCM
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50291707 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	686	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
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50291707 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>800	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
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50291707 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1	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	180	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
					More data for this Ligand-Target Pair
Amphiregulin (Homo sapiens (Human))	BDBM50291707 ((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...) Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	470	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
					More data for this Ligand-Target Pair