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SMILES: CC1(C)OC[C@@H](O1)[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O

InChI Key: InChIKey=IVPPTWCRAFCOFJ-RTBURBONSA-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 = 50409487   
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
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50409487
PNG
(CHEMBL2115165)
Show SMILES CC1(C)OC[C@@H](O1)[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C21H22F3NO8S/c1-20(2)30-11-19(33-20)18(25(27)13-26)12-34(28,29)17-9-7-15(8-10-17)31-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,13,18-19,27H,11-12H2,1-2H3/t18-,19-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8 (MMP-8) in fluorimetric assay

J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50409487
PNG
(CHEMBL2115165)
Show SMILES CC1(C)OC[C@@H](O1)[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C21H22F3NO8S/c1-20(2)30-11-19(33-20)18(25(27)13-26)12-34(28,29)17-9-7-15(8-10-17)31-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,13,18-19,27H,11-12H2,1-2H3/t18-,19-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against Matrix metalloprotease-9 (MMP-9) using fluorimetric assay

J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50409487
PNG
(CHEMBL2115165)
Show SMILES CC1(C)OC[C@@H](O1)[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C21H22F3NO8S/c1-20(2)30-11-19(33-20)18(25(27)13-26)12-34(28,29)17-9-7-15(8-10-17)31-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,13,18-19,27H,11-12H2,1-2H3/t18-,19-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3 (MMP-3) in fluorimetric assay

J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50409487
PNG
(CHEMBL2115165)
Show SMILES CC1(C)OC[C@@H](O1)[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C21H22F3NO8S/c1-20(2)30-11-19(33-20)18(25(27)13-26)12-34(28,29)17-9-7-15(8-10-17)31-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,13,18-19,27H,11-12H2,1-2H3/t18-,19-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-7 (MMP-7) in fluorimetric assay

J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50409487
PNG
(CHEMBL2115165)
Show SMILES CC1(C)OC[C@@H](O1)[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C21H22F3NO8S/c1-20(2)30-11-19(33-20)18(25(27)13-26)12-34(28,29)17-9-7-15(8-10-17)31-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,13,18-19,27H,11-12H2,1-2H3/t18-,19-/m1/s1
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n/an/a 0.780n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against matrix metalloprotease-2 (MMP-2) using fluorimetric assay

J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50409487
PNG
(CHEMBL2115165)
Show SMILES CC1(C)OC[C@@H](O1)[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C21H22F3NO8S/c1-20(2)30-11-19(33-20)18(25(27)13-26)12-34(28,29)17-9-7-15(8-10-17)31-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,13,18-19,27H,11-12H2,1-2H3/t18-,19-/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against matrix metalloprotease-1 (MMP-1) using a fluorimetric assay

J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50409487
PNG
(CHEMBL2115165)
Show SMILES CC1(C)OC[C@@H](O1)[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C21H22F3NO8S/c1-20(2)30-11-19(33-20)18(25(27)13-26)12-34(28,29)17-9-7-15(8-10-17)31-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,13,18-19,27H,11-12H2,1-2H3/t18-,19-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13 (MMP-13) in fluorimetric assay

J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair