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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 = 'BDBM50043602'   
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))
BDBM50043602
PNG
(1N-[1-phenyl-(1R)-ethyl]-2-[1-[1-amino-(1R)-ethylc...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C28H37N5O3/c1-17(2)14-24(27(35)31-19(4)20-10-6-5-7-11-20)33-28(36)25(32-26(34)18(3)29)15-21-16-30-23-13-9-8-12-22(21)23/h5-13,16-19,24-25,30H,14-15,29H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t18-,19-,24+,25+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


J Med Chem 36: 4293-301 (1994)


Article DOI: 10.1021/jm00078a019
BindingDB Entry DOI: 10.7270/Q2Z31XQ9
More data for this
Ligand-Target Pair