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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-1 (MMP1)' and Ligand = 'BDBM50286340'   
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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286340
PNG
((R)-N*1*-[(S)-1-(4-Benzyloxy-butylcarbamoyl)-2-(1H...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCOCc1ccccc1
Show InChI InChI=1S/C30H40N4O5/c1-21(2)16-23(18-28(35)34-38)29(36)33-27(17-24-19-32-26-13-7-6-12-25(24)26)30(37)31-14-8-9-15-39-20-22-10-4-3-5-11-22/h3-7,10-13,19,21,23,27,32,38H,8-9,14-18,20H2,1-2H3,(H,31,37)(H,33,36)(H,34,35)/t23-,27+/m1/s1
PDB
MMDB

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Article
2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair