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BDBM30392 piperidinyl glycine derivative, 26d

SMILES: CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C1CCCCC1)C(O)=O

InChI Key: InChIKey=ZUANNEACDHFGLI-XMMPIXPASA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 30392   
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))
BDBM30392
PNG
(piperidinyl glycine derivative, 26d)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C26H34N2O6S2/c1-2-34-21-10-8-18(9-11-21)22-12-13-23(35-22)36(32,33)27-24(26(30)31)19-14-16-28(17-15-19)25(29)20-6-4-3-5-7-20/h8-13,19-20,24,27H,2-7,14-17H2,1H3,(H,30,31)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM30392
PNG
(piperidinyl glycine derivative, 26d)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C26H34N2O6S2/c1-2-34-21-10-8-18(9-11-21)22-12-13-23(35-22)36(32,33)27-24(26(30)31)19-14-16-28(17-15-19)25(29)20-6-4-3-5-7-20/h8-13,19-20,24,27H,2-7,14-17H2,1H3,(H,30,31)/t24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.900n/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