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SMILES: ONC(=O)[C@@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=IWOFJPISTOGMII-NCRNUEESSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50518290   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interstitial collagenase


(Homo sapiens (Human))
BDBM50518290
PNG
(CHEMBL4466038)
Show SMILES ONC(=O)[C@@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C48H54N8O12S2/c57-43(49-30-26-41(47(61)53-63)55-69(65,66)39-22-18-35(19-23-39)33-10-3-1-4-11-33)16-8-28-51-45(59)37-14-7-15-38(32-37)46(60)52-29-9-17-44(58)50-31-27-42(48(62)54-64)56-70(67,68)40-24-20-36(21-25-40)34-12-5-2-6-13-34/h1-7,10-15,18-25,32,41-42,55-56,63-64H,8-9,16-17,26-31H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t41-,42-/m1/s1
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UniChem
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n/an/a 155n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human pro-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50518290
PNG
(CHEMBL4466038)
Show SMILES ONC(=O)[C@@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C48H54N8O12S2/c57-43(49-30-26-41(47(61)53-63)55-69(65,66)39-22-18-35(19-23-39)33-10-3-1-4-11-33)16-8-28-51-45(59)37-14-7-15-38(32-37)46(60)52-29-9-17-44(58)50-31-27-42(48(62)54-64)56-70(67,68)40-24-20-36(21-25-40)34-12-5-2-6-13-34/h1-7,10-15,18-25,32,41-42,55-56,63-64H,8-9,16-17,26-31H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t41-,42-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50518290
PNG
(CHEMBL4466038)
Show SMILES ONC(=O)[C@@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C48H54N8O12S2/c57-43(49-30-26-41(47(61)53-63)55-69(65,66)39-22-18-35(19-23-39)33-10-3-1-4-11-33)16-8-28-51-45(59)37-14-7-15-38(32-37)46(60)52-29-9-17-44(58)50-31-27-42(48(62)54-64)56-70(67,68)40-24-20-36(21-25-40)34-12-5-2-6-13-34/h1-7,10-15,18-25,32,41-42,55-56,63-64H,8-9,16-17,26-31H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t41-,42-/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50518290
PNG
(CHEMBL4466038)
Show SMILES ONC(=O)[C@@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C48H54N8O12S2/c57-43(49-30-26-41(47(61)53-63)55-69(65,66)39-22-18-35(19-23-39)33-10-3-1-4-11-33)16-8-28-51-45(59)37-14-7-15-38(32-37)46(60)52-29-9-17-44(58)50-31-27-42(48(62)54-64)56-70(67,68)40-24-20-36(21-25-40)34-12-5-2-6-13-34/h1-7,10-15,18-25,32,41-42,55-56,63-64H,8-9,16-17,26-31H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t41-,42-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
More data for this
Ligand-Target Pair