BDBM50530230 CHEMBL4445882

SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O

InChI Key InChIKey=RUVHVYMIMBVNKN-YQGUEOHTSA-N

Data  20 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50530230   

TargetCollagenase 3(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  562nMAssay Description:Inhibition of human MMP13 using fluorogenic Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 peptide as substrate preincubated for 45 mins measured at 30 sec inte...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  562nMAssay Description:Inhibition of human MMP13 using fluorogenic Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 peptide as substrate preincubated for 45 mins measured at 30 sec inte...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed