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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50289127'   
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
Collagenase


(Homo sapiens (Human))
BDBM50289127
PNG
((2S,4R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamo...)
Show SMILES CCCc1ccc(CC[C@H](C[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C40H51N3O5/c1-4-12-29-18-20-30(21-19-29)22-23-31(37(44)42-36(25-28(2)3)38(45)41-34-15-6-5-7-16-34)26-32(40(47)48)13-10-11-24-43-27-33-14-8-9-17-35(33)39(43)46/h5-9,14-21,28,31-32,36H,4,10-13,22-27H2,1-3H3,(H,41,45)(H,42,44)(H,47,48)/t31-,32+,36+/m1/s1
PDB
MMDB

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PC cid
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UniChem
Article
5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair