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BDBM50136257 (1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-[(4-benzyloxy-phenyl)-amide] 2-hydroxyamide::CHEMBL137406

SMILES: ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=PYZZBYJLLRVFDM-OALUTQOASA-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 = 50136257   
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))
BDBM50136257
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-[(4-be...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H24N2O4/c24-20(18-8-4-5-9-19(18)21(25)23-26)22-16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,26H,4-5,8-9,14H2,(H,22,24)(H,23,25)/t18-,19-/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
Inhibition of matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 4293-7 (2003)


BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50136257
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-[(4-be...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H24N2O4/c24-20(18-8-4-5-9-19(18)21(25)23-26)22-16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,26H,4-5,8-9,14H2,(H,22,24)(H,23,25)/t18-,19-/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 13: 4293-7 (2003)


BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50136257
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-[(4-be...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H24N2O4/c24-20(18-8-4-5-9-19(18)21(25)23-26)22-16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,26H,4-5,8-9,14H2,(H,22,24)(H,23,25)/t18-,19-/m0/s1
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))
BDBM50136257
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-[(4-be...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H24N2O4/c24-20(18-8-4-5-9-19(18)21(25)23-26)22-16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,26H,4-5,8-9,14H2,(H,22,24)(H,23,25)/t18-,19-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair