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BDBM50290087 (2S,3R)-5-Methyl-3-(piperidine-1-carbonyl)-2-(3,4,4-trimethyl-2,5-dioxo-imidazolidin-1-ylmethyl)-hexanoic acid hydroxyamide::CHEMBL305729

SMILES: CC(C)C[C@H]([C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(=O)N1CCCCC1

InChI Key: InChIKey=XNKSQYFVFJZMOA-HUUCEWRRSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50290087   
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))
BDBM50290087
PNG
((2S,3R)-5-Methyl-3-(piperidine-1-carbonyl)-2-(3,4,...)
Show SMILES CC(C)C[C@H]([C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H34N4O5/c1-13(2)11-14(17(26)23-9-7-6-8-10-23)15(16(25)21-29)12-24-18(27)20(3,4)22(5)19(24)28/h13-15,29H,6-12H2,1-5H3,(H,21,25)/t14-,15-/m1/s1
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Article
n/an/a 237n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human gelatinase B, MMP9


Bioorg Med Chem Lett 7: 2299-2302 (1997)


Article DOI: 10.1016/S0960-894X(97)00416-2
BindingDB Entry DOI: 10.7270/Q26T0MM8
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50290087
PNG
((2S,3R)-5-Methyl-3-(piperidine-1-carbonyl)-2-(3,4,...)
Show SMILES CC(C)C[C@H]([C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H34N4O5/c1-13(2)11-14(17(26)23-9-7-6-8-10-23)15(16(25)21-29)12-24-18(27)20(3,4)22(5)19(24)28/h13-15,29H,6-12H2,1-5H3,(H,21,25)/t14-,15-/m1/s1
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Article
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)


Bioorg Med Chem Lett 7: 2299-2302 (1997)


Article DOI: 10.1016/S0960-894X(97)00416-2
BindingDB Entry DOI: 10.7270/Q26T0MM8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290087
PNG
((2S,3R)-5-Methyl-3-(piperidine-1-carbonyl)-2-(3,4,...)
Show SMILES CC(C)C[C@H]([C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H34N4O5/c1-13(2)11-14(17(26)23-9-7-6-8-10-23)15(16(25)21-29)12-24-18(27)20(3,4)22(5)19(24)28/h13-15,29H,6-12H2,1-5H3,(H,21,25)/t14-,15-/m1/s1
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Article
n/an/a 2.18E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1, MMP-3


Bioorg Med Chem Lett 7: 2299-2302 (1997)


Article DOI: 10.1016/S0960-894X(97)00416-2
BindingDB Entry DOI: 10.7270/Q26T0MM8
More data for this
Ligand-Target Pair