BindingDB logo
myBDB logout

BDBM50109635 (3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenoxy-phenyl)-phosphinic acid ethyl ester::CHEMBL355797

SMILES: CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=QSFJZGINKPYVRC-UHFFFAOYNA-N

Data: 4 KI  1 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 5 hits for monomerid = 50109635   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0800n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.530n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.81n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.89n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE) from human acute monocytic leukemia cell line.


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9)


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair