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BDBM30394 piperidinyl glycine derivative, 27a

SMILES: COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(O)=O

InChI Key: InChIKey=DMIORTQLUPECMV-XMMPIXPASA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 30394   
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))
BDBM30394
PNG
(piperidinyl glycine derivative, 27a)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H28N2O7S3/c1-17-3-9-21(10-4-17)37(32,33)27-15-13-19(14-16-27)24(25(28)29)26-36(30,31)23-12-11-22(35-23)18-5-7-20(34-2)8-6-18/h3-12,19,24,26H,13-16H2,1-2H3,(H,28,29)/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 4.30E+3n/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))
BDBM30394
PNG
(piperidinyl glycine derivative, 27a)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H28N2O7S3/c1-17-3-9-21(10-4-17)37(32,33)27-15-13-19(14-16-27)24(25(28)29)26-36(30,31)23-12-11-22(35-23)18-5-7-20(34-2)8-6-18/h3-12,19,24,26H,13-16H2,1-2H3,(H,28,29)/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 1.40n/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