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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50288687'   
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))
BDBM50288687
PNG
(CHEMBL111975 | {4-[((S)-1-Acetyl-pyrrolidine-2-car...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30+,31+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
6.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (MMP-2).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair