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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)' and Ligand = 'BDBM50265114'   
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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50265114
PNG
(CHEMBL495502 | N-((2R,6S)-4-(2-(hydroxyamino)-2-ox...)
Show SMILES C[C@H]1C[C@](CC(=O)NO)(C[C@@H](C)N1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 |r|
Show InChI InChI=1S/C27H32N4O4/c1-17-12-21(23-6-4-5-7-24(23)29-17)16-35-22-10-8-20(9-11-22)26(33)30-27(15-25(32)31-34)13-18(2)28-19(3)14-27/h4-12,18-19,28,34H,13-16H2,1-3H3,(H,30,33)(H,31,32)/t18-,19+,27+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS4


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
More data for this
Ligand-Target Pair