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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 366.4
BDBM50256203

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
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50256203
PNG
((R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-...)
Show SMILES CC(C)NC(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO |r|
Show InChI InChI=1S/C18H30N4O4/c1-12(2)19-17(24)16-20-18(26-22-16)14(11-15(23)21-25)10-6-9-13-7-4-3-5-8-13/h12-14,25H,3-11H2,1-2H3,(H,19,24)(H,21,23)/t14-/m1/s1
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Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human procollagen C-proteinase assessed as [3H]procollagen turnover by scintillation counting


Bioorg Med Chem Lett 18: 6562-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.036
BindingDB Entry DOI: 10.7270/Q2J1031M
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50256203
PNG
((R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-...)
Show SMILES CC(C)NC(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO |r|
Show InChI InChI=1S/C18H30N4O4/c1-12(2)19-17(24)16-20-18(26-22-16)14(11-15(23)21-25)10-6-9-13-7-4-3-5-8-13/h12-14,25H,3-11H2,1-2H3,(H,19,24)(H,21,23)/t14-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 by fluorescence assay


Bioorg Med Chem Lett 18: 6562-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.036
BindingDB Entry DOI: 10.7270/Q2J1031M
More data for this
Ligand-Target Pair