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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50228003'   
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


(Homo sapiens (Human))
BDBM50228003
PNG
((6S,7S)-6-[4-(4-cyano-3-methyl-phenyl)-piperazine-...)
Show SMILES Cc1cc(ccc1C#N)N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H27N5O3/c1-14-10-16(3-2-15(14)12-22)25-6-8-26(9-7-25)20(28)18-17(19(27)24-29)11-21(4-5-21)13-23-18/h2-3,10,17-18,23,29H,4-9,11,13H2,1H3,(H,24,27)/t17-,18-/m0/s1
PDB
MMDB

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PC cid
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Article
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n/an/a<5n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair