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BDBM30371 piperidinyl glycine derivative, 24h

SMILES: CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OC(C)C)cc1)C(O)=O

InChI Key: InChIKey=OFCXTZZJEVUZRH-JOCHJYFZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 30371   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM30371
PNG
(piperidinyl glycine derivative, 24h)
Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OC(C)C)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O7S2/c1-15(2)32-19-7-5-17(6-8-19)20-9-10-21(34-20)35(30,31)25-22(23(27)28)18-11-13-26(14-12-18)24(29)33-16(3)4/h5-10,15-16,18,22,25H,11-14H2,1-4H3,(H,27,28)/t22-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/a25



Novartis



Assay Description
Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30371
PNG
(piperidinyl glycine derivative, 24h)
Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OC(C)C)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O7S2/c1-15(2)32-19-7-5-17(6-8-19)20-9-10-21(34-20)35(30,31)25-22(23(27)28)18-11-13-26(14-12-18)24(29)33-16(3)4/h5-10,15-16,18,22,25H,11-14H2,1-4H3,(H,27,28)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/a25



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair