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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50142268   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM50142268
PNG
(CHEMBL3758659)
Show SMILES COc1cccc(CNC(=O)c2cc(nc(C)n2)-c2nnn(C[C@H]3CO[C@H](CO)CO3)n2)c1 |r|
Show InChI InChI=1/C21H25N7O5/c1-13-23-18(20-25-27-28(26-20)9-16-11-33-17(10-29)12-32-16)7-19(24-13)21(30)22-8-14-4-3-5-15(6-14)31-2/h3-7,16-17,29H,8-12H2,1-2H3,(H,22,30)/t16-,17+/s2
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
5.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followe...


J Med Chem 59: 313-27 (2016)


BindingDB Entry DOI: 10.7270/Q20G3N0F
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50142268
PNG
(CHEMBL3758659)
Show SMILES COc1cccc(CNC(=O)c2cc(nc(C)n2)-c2nnn(C[C@H]3CO[C@H](CO)CO3)n2)c1 |r|
Show InChI InChI=1/C21H25N7O5/c1-13-23-18(20-25-27-28(26-20)9-16-11-33-17(10-29)12-32-16)7-19(24-13)21(30)22-8-14-4-3-5-15(6-14)31-2/h3-7,16-17,29H,8-12H2,1-2H3,(H,22,30)/t16-,17+/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin) catalytic domain using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 60 mins...


J Med Chem 59: 313-27 (2016)


BindingDB Entry DOI: 10.7270/Q20G3N0F
More data for this
Ligand-Target Pair