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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50285564'   
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))
BDBM50285564
PNG
((R)-2-((S)-4-(4-ethylphenyl)-1-((S)-4-methyl-1-oxo...)
Show SMILES CCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C27H37N3O4/c1-5-20-11-13-21(14-12-20)15-16-23(28-19(4)27(33)34)25(31)30-24(17-18(2)3)26(32)29-22-9-7-6-8-10-22/h6-14,18-19,23-24,28H,5,15-17H2,1-4H3,(H,29,32)(H,30,31)(H,33,34)/t19-,23+,24+/m1/s1
PDB
MMDB

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PC cid
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Article
12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair