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BDBM50136267 (3R,4S)-Piperidine-3,4-dicarboxylic acid 4-hydroxyamide 3-{[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-amide}::CHEMBL137646

SMILES: Cc1cc(COc2ccc(NC(=O)[C@H]3CNCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1

InChI Key: InChIKey=BZSVSBCWCXTKOM-SFTDATJTSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50136267   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50136267
PNG
((3R,4S)-Piperidine-3,4-dicarboxylic acid 4-hydroxy...)
Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CNCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O4/c1-15-12-16(19-4-2-3-5-22(19)26-15)14-32-18-8-6-17(7-9-18)27-23(29)21-13-25-11-10-20(21)24(30)28-31/h2-9,12,20-21,25,31H,10-11,13-14H2,1H3,(H,27,29)(H,28,30)/t20-,21-/m0/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase-9 (MMP-9)


Bioorg Med Chem Lett 13: 4299-304 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.057
BindingDB Entry DOI: 10.7270/Q2PG1R4X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50136267
PNG
((3R,4S)-Piperidine-3,4-dicarboxylic acid 4-hydroxy...)
Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CNCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O4/c1-15-12-16(19-4-2-3-5-22(19)26-15)14-32-18-8-6-17(7-9-18)27-23(29)21-13-25-11-10-20(21)24(30)28-31/h2-9,12,20-21,25,31H,10-11,13-14H2,1H3,(H,27,29)(H,28,30)/t20-,21-/m0/s1
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PubMed
>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2)


Bioorg Med Chem Lett 13: 4299-304 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.057
BindingDB Entry DOI: 10.7270/Q2PG1R4X
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50136267
PNG
((3R,4S)-Piperidine-3,4-dicarboxylic acid 4-hydroxy...)
Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CNCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O4/c1-15-12-16(19-4-2-3-5-22(19)26-15)14-32-18-8-6-17(7-9-18)27-23(29)21-13-25-11-10-20(21)24(30)28-31/h2-9,12,20-21,25,31H,10-11,13-14H2,1H3,(H,27,29)(H,28,30)/t20-,21-/m0/s1
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PubMed
>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4299-304 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.057
BindingDB Entry DOI: 10.7270/Q2PG1R4X
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136267
PNG
((3R,4S)-Piperidine-3,4-dicarboxylic acid 4-hydroxy...)
Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CNCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O4/c1-15-12-16(19-4-2-3-5-22(19)26-15)14-32-18-8-6-17(7-9-18)27-23(29)21-13-25-11-10-20(21)24(30)28-31/h2-9,12,20-21,25,31H,10-11,13-14H2,1H3,(H,27,29)(H,28,30)/t20-,21-/m0/s1
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against porcine TACE


Bioorg Med Chem Lett 13: 4299-304 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.057
BindingDB Entry DOI: 10.7270/Q2PG1R4X
More data for this
Ligand-Target Pair