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BDBM50216829 (3R)-6-cyclohexyl-N-hydroxy-3-(3-{[(2-hydroxy-1,1-dimethylethyl)amino]methyl}-1,2,4-oxadiazol-5-yl)hexanamide::CHEMBL229866

SMILES: CC(C)(CO)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO

InChI Key: InChIKey=AMIZSFRPEJZLFK-OAHLLOKOSA-N

Data: 3 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 3 hits for monomerid = 50216829   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50216829
PNG
((3R)-6-cyclohexyl-N-hydroxy-3-(3-{[(2-hydroxy-1,1-...)
Show SMILES CC(C)(CO)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
Show InChI InChI=1S/C19H34N4O4/c1-19(2,13-24)20-12-16-21-18(27-23-16)15(11-17(25)22-26)10-6-9-14-7-4-3-5-8-14/h14-15,20,24,26H,3-13H2,1-2H3,(H,22,25)/t15-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50216829
PNG
((3R)-6-cyclohexyl-N-hydroxy-3-(3-{[(2-hydroxy-1,1-...)
Show SMILES CC(C)(CO)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
Show InChI InChI=1S/C19H34N4O4/c1-19(2,13-24)20-12-16-21-18(27-23-16)15(11-17(25)22-26)10-6-9-14-7-4-3-5-8-14/h14-15,20,24,26H,3-13H2,1-2H3,(H,22,25)/t15-/m1/s1
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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human procollagen C-proteinase expressed in CHO cells


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50216829
PNG
((3R)-6-cyclohexyl-N-hydroxy-3-(3-{[(2-hydroxy-1,1-...)
Show SMILES CC(C)(CO)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
Show InChI InChI=1S/C19H34N4O4/c1-19(2,13-24)20-12-16-21-18(27-23-16)15(11-17(25)22-26)10-6-9-14-7-4-3-5-8-14/h14-15,20,24,26H,3-13H2,1-2H3,(H,22,25)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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 MMP1


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair