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BDBM11879 N-Hydroxy-1-(methylsulfonyl)-4-{[4-(phenoxyphenyl]-sulfonyl}piperidine-4-carboxamide::N-hydroxy-1-methanesulfonyl-4-[(4-phenoxybenzene)sulfonyl]piperidine-4-carboxamide::alpha-sulfone 27i

SMILES: CS(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=NWFAIXPOXVQZQD-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 11879   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11879
PNG
(N-Hydroxy-1-(methylsulfonyl)-4-{[4-(phenoxyphenyl]...)
Show SMILES CS(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O7S2/c1-29(24,25)21-13-11-19(12-14-21,18(22)20-23)30(26,27)17-9-7-16(8-10-17)28-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)
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Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11879
PNG
(N-Hydroxy-1-(methylsulfonyl)-4-{[4-(phenoxyphenyl]...)
Show SMILES CS(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O7S2/c1-29(24,25)21-13-11-19(12-14-21,18(22)20-23)30(26,27)17-9-7-16(8-10-17)28-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)
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Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11879
PNG
(N-Hydroxy-1-(methylsulfonyl)-4-{[4-(phenoxyphenyl]...)
Show SMILES CS(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O7S2/c1-29(24,25)21-13-11-19(12-14-21,18(22)20-23)30(26,27)17-9-7-16(8-10-17)28-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)
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1n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11879
PNG
(N-Hydroxy-1-(methylsulfonyl)-4-{[4-(phenoxyphenyl]...)
Show SMILES CS(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O7S2/c1-29(24,25)21-13-11-19(12-14-21,18(22)20-23)30(26,27)17-9-7-16(8-10-17)28-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)
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800n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair