Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50011729 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50291705
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1 | 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 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291705
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1 | 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 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50291704
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.70 | 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)) | BDBM50291705
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1 | 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 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.60 | 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)) | BDBM50291702
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.10 | 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 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.20 | 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 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 | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50291703
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C21H24F3N2O5P/c1-30-17-7-9-18(10-8-17)32(29,31-12-4-11-21(22,23)24)26-14-16-6-3-2-5-15(16)13-19(26)20(27)25-28/h2-3,5-10,19,28H,4,11-14H2,1H3,(H,25,27)/t19-,32-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.5 | 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 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50291702
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6 | 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)) | BDBM50291705
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1 | 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 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50291704
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.60 | 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)) | BDBM50291702
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.70 | 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291704
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.80 | 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 | |
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 | |
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 | |
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)) | BDBM50291703
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C21H24F3N2O5P/c1-30-17-7-9-18(10-8-17)32(29,31-12-4-11-21(22,23)24)26-14-16-6-3-2-5-15(16)13-19(26)20(27)25-28/h2-3,5-10,19,28H,4,11-14H2,1H3,(H,25,27)/t19-,32-/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 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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50291703
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C21H24F3N2O5P/c1-30-17-7-9-18(10-8-17)32(29,31-12-4-11-21(22,23)24)26-14-16-6-3-2-5-15(16)13-19(26)20(27)25-28/h2-3,5-10,19,28H,4,11-14H2,1H3,(H,25,27)/t19-,32-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | 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)) | BDBM50291708
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCC)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)/t21-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | 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)) | BDBM50291706
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C23H28F3N2O6P/c1-2-32-13-14-33-19-7-9-20(10-8-19)35(31,34-12-11-23(24,25)26)28-16-18-6-4-3-5-17(18)15-21(28)22(29)27-30/h3-10,21,30H,2,11-16H2,1H3,(H,27,29)/t21-,35-/m1/s1 | 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 |
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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291703
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C21H24F3N2O5P/c1-30-17-7-9-18(10-8-17)32(29,31-12-4-11-21(22,23)24)26-14-16-6-3-2-5-15(16)13-19(26)20(27)25-28/h2-3,5-10,19,28H,4,11-14H2,1H3,(H,25,27)/t19-,32-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 29 | 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291708
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCC)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)/t21-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50291706
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C23H28F3N2O6P/c1-2-32-13-14-33-19-7-9-20(10-8-19)35(31,34-12-11-23(24,25)26)28-16-18-6-4-3-5-17(18)15-21(28)22(29)27-30/h3-10,21,30H,2,11-16H2,1H3,(H,27,29)/t21-,35-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 31 | 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)) | BDBM50291704
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 36 | 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291706
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C23H28F3N2O6P/c1-2-32-13-14-33-19-7-9-20(10-8-19)35(31,34-12-11-23(24,25)26)28-16-18-6-4-3-5-17(18)15-21(28)22(29)27-30/h3-10,21,30H,2,11-16H2,1H3,(H,27,29)/t21-,35-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 48 | 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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50291702
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 125 | 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)) | BDBM50291704
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 358 | 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 | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50291705
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1 | 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 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50291702
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 483 | 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)) | BDBM50291708
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCC)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)/t21-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 573 | 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291704
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 617 | 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291703
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C21H24F3N2O5P/c1-30-17-7-9-18(10-8-17)32(29,31-12-4-11-21(22,23)24)26-14-16-6-3-2-5-15(16)13-19(26)20(27)25-28/h2-3,5-10,19,28H,4,11-14H2,1H3,(H,25,27)/t19-,32-/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 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291708
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCC)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)/t21-,31-/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 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291706
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C23H28F3N2O6P/c1-2-32-13-14-33-19-7-9-20(10-8-19)35(31,34-12-11-23(24,25)26)28-16-18-6-4-3-5-17(18)15-21(28)22(29)27-30/h3-10,21,30H,2,11-16H2,1H3,(H,27,29)/t21-,35-/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 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291702
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/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 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291705
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/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 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/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 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 | |
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)) | BDBM50291703
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C21H24F3N2O5P/c1-30-17-7-9-18(10-8-17)32(29,31-12-4-11-21(22,23)24)26-14-16-6-3-2-5-15(16)13-19(26)20(27)25-28/h2-3,5-10,19,28H,4,11-14H2,1H3,(H,25,27)/t19-,32-/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 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 | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50291708
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCC)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)/t21-,31-/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 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 | |
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 | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/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 | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50291706
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C23H28F3N2O6P/c1-2-32-13-14-33-19-7-9-20(10-8-19)35(31,34-12-11-23(24,25)26)28-16-18-6-4-3-5-17(18)15-21(28)22(29)27-30/h3-10,21,30H,2,11-16H2,1H3,(H,27,29)/t21-,35-/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 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)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >850 | 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)) | BDBM50291706
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C23H28F3N2O6P/c1-2-32-13-14-33-19-7-9-20(10-8-19)35(31,34-12-11-23(24,25)26)28-16-18-6-4-3-5-17(18)15-21(28)22(29)27-30/h3-10,21,30H,2,11-16H2,1H3,(H,27,29)/t21-,35-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >850 | 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)) | BDBM50291708
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCC)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)/t21-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >850 | 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 | |
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