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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 499.8
BDBM50210537

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))
BDBM50210537
PNG
((S)-methyl 2-chloro-2-(2-((S)-2,6-dioxo-3-(3,4,5-t...)
Show SMILES COC(=O)[C@](C)(Cl)NC(=O)CN1C(=O)CC[C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C21H26ClN3O9/c1-21(22,20(30)34-5)24-15(26)10-25-16(27)7-6-12(19(25)29)23-18(28)11-8-13(31-2)17(33-4)14(9-11)32-3/h8-9,12H,6-7,10H2,1-5H3,(H,23,28)(H,24,26)/t12-,21+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.56E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem Lett 17: 2935-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.095
BindingDB Entry DOI: 10.7270/Q2HT2P11
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50210537
PNG
((S)-methyl 2-chloro-2-(2-((S)-2,6-dioxo-3-(3,4,5-t...)
Show SMILES COC(=O)[C@](C)(Cl)NC(=O)CN1C(=O)CC[C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C21H26ClN3O9/c1-21(22,20(30)34-5)24-15(26)10-25-16(27)7-6-12(19(25)29)23-18(28)11-8-13(31-2)17(33-4)14(9-11)32-3/h8-9,12H,6-7,10H2,1-5H3,(H,23,28)(H,24,26)/t12-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal aminopeptidase assessed as liberation of p-nitroanilide


Bioorg Med Chem Lett 17: 2935-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.095
BindingDB Entry DOI: 10.7270/Q2HT2P11
More data for this
Ligand-Target Pair