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BDBM30347 BOC-piperidinyl glycine derivative, 22a

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)N1CCCCC1)C(O)=O

InChI Key: InChIKey=XGIFEMLRFPKIQV-XMMPIXPASA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 30347   
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-1 (MMP1)


(Homo sapiens (Human))
BDBM30347
PNG
(BOC-piperidinyl glycine derivative, 22a)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)N1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H37N3O6S2/c1-27(2,3)36-26(33)30-17-13-20(14-18-30)24(25(31)32)28-38(34,35)23-12-11-22(37-23)19-7-9-21(10-8-19)29-15-5-4-6-16-29/h7-12,20,24,28H,4-6,13-18H2,1-3H3,(H,31,32)/t24-/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>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


(Homo sapiens (Human))
BDBM30347
PNG
(BOC-piperidinyl glycine derivative, 22a)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)N1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H37N3O6S2/c1-27(2,3)36-26(33)30-17-13-20(14-18-30)24(25(31)32)28-38(34,35)23-12-11-22(37-23)19-7-9-21(10-8-19)29-15-5-4-6-16-29/h7-12,20,24,28H,4-6,13-18H2,1-3H3,(H,31,32)/t24-/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 0.75n/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