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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50530230   

TargetMast cell carboxypeptidase A(Rattus norvegicus)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  0.0170nMAssay Description:Inhibition of rat CPA3 using AAFP as substrate preincubated for 45 mins measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetMast cell carboxypeptidase A(Rattus norvegicus)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  0.0170nMAssay Description:Inhibition of rat CPA3 using AAFP as substrate preincubated for 45 mins measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarboxypeptidase A1(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  0.0700nMAssay Description:Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarboxypeptidase A1(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  0.0700nMAssay Description:Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarboxypeptidase A1(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  0.0890nMAssay Description:Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarboxypeptidase A1(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  0.0890nMAssay Description:Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarboxypeptidase A1(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  0.240nMAssay Description:Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarboxypeptidase A1(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  0.240nMAssay Description:Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarboxypeptidase A2(Homo sapiens)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  5.30nMAssay Description:Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarboxypeptidase A2(Homo sapiens)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  5.30nMAssay Description:Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarboxypeptidase A4(Homo sapiens)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  5.70nMAssay Description:Inhibition of human CPA4 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarboxypeptidase A4(Homo sapiens)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  5.70nMAssay Description:Inhibition of human CPA4 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...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
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
TargetStromelysin-2(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  983nMAssay Description:Inhibition of human MMP10 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
TargetStromelysin-2(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  983nMAssay Description:Inhibition of human MMP10 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
TargetMacrophage metalloelastase(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  1.34E+3nMAssay Description:Inhibition of human MMP12 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
TargetMacrophage metalloelastase(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  1.34E+3nMAssay Description:Inhibition of human MMP12 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
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  2.59E+3nMAssay Description:Inhibition of human MMP9 using fluorogenic Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 peptide as substrate preincubated for 45 mins measured at 30 sec inter...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530230(CHEMBL4445882)
Affinity DataKi:  2.59E+3nMAssay Description:Inhibition of human MMP9 using fluorogenic Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 peptide as substrate preincubated for 45 mins measured at 30 sec inter...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed