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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50288688'   
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))
BDBM50288688
PNG
(CHEMBL419395 | Phosphinic acid derivative)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H41N4O6P/c1-24(2)21-29(31(39)35-23-26-15-7-4-8-16-26)36-32(40)30(22-25-13-5-3-6-14-25)37-45(43,44)20-12-11-19-38-33(41)27-17-9-10-18-28(27)34(38)42/h3-10,13-18,24,29-30H,11-12,19-23H2,1-2H3,(H,35,39)(H,36,40)(H2,37,43,44)/t29-,30-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of stromelysin-1 (MMP-3).


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