BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.6
BDBM50155527

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50155527
PNG
(CHEMBL3775422)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1ccccc1[N+]([O-])=O)SCCS2 |r|
Show InChI InChI=1S/C21H22N4O5S3/c1-15-6-8-17(9-7-15)33(29,30)24-14-21(31-10-11-32-21)12-19(24)20(26)23-22-13-16-4-2-3-5-18(16)25(27)28/h2-9,13,19H,10-12,14H2,1H3,(H,23,26)/b22-13+/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate


Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50155527
PNG
(CHEMBL3775422)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1ccccc1[N+]([O-])=O)SCCS2 |r|
Show InChI InChI=1S/C21H22N4O5S3/c1-15-6-8-17(9-7-15)33(29,30)24-14-21(31-10-11-32-21)12-19(24)20(26)23-22-13-16-4-2-3-5-18(16)25(27)28/h2-9,13,19H,10-12,14H2,1H3,(H,23,26)/b22-13+/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer


Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair