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BDBM30366 piperidinyl glycine derivative, 24c

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

InChI Key: InChIKey=ZVKAVYCKILWYEA-LJQANCHMSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 2 hits for monomerid = 30366   
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))
BDBM30366
PNG
(piperidinyl glycine derivative, 24c)
Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H26N2O7S2/c1-13(2)30-21(27)23-11-9-15(10-12-23)19(20(25)26)22-32(28,29)18-8-7-17(31-18)14-3-5-16(24)6-4-14/h3-8,13,15,19,22,24H,9-12H2,1-2H3,(H,25,26)/t19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 680n/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))
BDBM30366
PNG
(piperidinyl glycine derivative, 24c)
Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H26N2O7S2/c1-13(2)30-21(27)23-11-9-15(10-12-23)19(20(25)26)22-32(28,29)18-8-7-17(31-18)14-3-5-16(24)6-4-14/h3-8,13,15,19,22,24H,9-12H2,1-2H3,(H,25,26)/t19-/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 3.30n/an/an/an/a7.522



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