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SMILES: COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1

InChI Key: InChIKey=WVNVANHURONWTG-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 = 50320442   
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))		BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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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))		BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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n/an/a 1.23E+3n/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))		BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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n/an/a 400n/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))		BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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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))		BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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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))		BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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n/an/a 370n/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))		BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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n/an/a 9n/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