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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50456795'   
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
Stromelysin-1


(Homo sapiens (Human))		BDBM50456795
PNG
(CHEMBL4215930)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1 |r|
Show InChI InChI=1S/C52H60N4O5S/c1-34(2)42-32-39-22-27-47-51(5,28-13-29-52(47,6)50(59)55-44(30-37-14-9-7-10-15-37)48(57)53-40-23-18-35(3)19-24-40)43(39)33-46(42)62(60,61)56-45(31-38-16-11-8-12-17-38)49(58)54-41-25-20-36(4)21-26-41/h7-12,14-21,23-26,32-34,44-45,47,56H,13,22,27-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/m1/s1
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PC cid
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Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP3 (Tyr18 to Cys477 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair