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SMILES: Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C

InChI Key: InChIKey=QOWJHUFMPPFELP-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50320443   
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
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP8


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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n/an/a 160n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair