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SMILES: Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F

InChI Key: InChIKey=LXZKIXQSLYEDMA-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 12 hits for monomerid = 256500   
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
Collagenase 3


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
PDB
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US Patent
n/an/a<100n/an/an/an/a7.637



TBA

US Patent


Assay Description
MMP-13 inhibitor activity of the MMP inhibitors of the present invention was measured using the method of Knight (Knight, C. G. et. al, FEBS LETT. 29...


US Patent US9505743 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NK1
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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US Patent
n/an/a<100n/an/an/an/a7.637



TBA

US Patent


Assay Description
MMP-13 inhibitor activity of the MMP inhibitors of the present invention was measured using the method of Knight (Knight, C. G. et. al, FEBS LETT. 29...


US Patent US9505743 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NK1
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-2


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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n/an/a 7.40E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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n/an/a 4.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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n/an/a 9.80E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair