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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50183734'   
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
Collagenase


(Homo sapiens (Human))
BDBM50183734
PNG
(4-(2-(hydroxyamino)-2-oxoethyl)-N,N-dimethyl-4-(4-...)
Show SMILES CN(C)C(=O)N1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C28H33N5O5/c1-19-16-21(23-6-4-5-7-24(23)29-19)18-38-22-10-8-20(9-11-22)26(35)30-28(17-25(34)31-37)12-14-33(15-13-28)27(36)32(2)3/h4-11,16,37H,12-15,17-18H2,1-3H3,(H,30,35)(H,31,34)
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Article
PubMed
>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50183734
PNG
(4-(2-(hydroxyamino)-2-oxoethyl)-N,N-dimethyl-4-(4-...)
Show SMILES CN(C)C(=O)N1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C28H33N5O5/c1-19-16-21(23-6-4-5-7-24(23)29-19)18-38-22-10-8-20(9-11-22)26(35)30-28(17-25(34)31-37)12-14-33(15-13-28)27(36)32(2)3/h4-11,16,37H,12-15,17-18H2,1-3H3,(H,30,35)(H,31,34)
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Article
PubMed
>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50183734
PNG
(4-(2-(hydroxyamino)-2-oxoethyl)-N,N-dimethyl-4-(4-...)
Show SMILES CN(C)C(=O)N1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C28H33N5O5/c1-19-16-21(23-6-4-5-7-24(23)29-19)18-38-22-10-8-20(9-11-22)26(35)30-28(17-25(34)31-37)12-14-33(15-13-28)27(36)32(2)3/h4-11,16,37H,12-15,17-18H2,1-3H3,(H,30,35)(H,31,34)
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Article
PubMed
>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP13


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair