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BDBM11869 4-({[4-(3,4-Dimethylphenoxy)phenyl]sulfonyl}methyl)-N-hydroxy-1-prop-2-ynylpiperidine-4-carboxamide Hydrochloride::4-({[4-(3,4-dimethylphenoxy)benzene]sulfonyl}methyl)-N-hydroxy-1-(prop-2-yn-1-yl)piperidine-4-carboxamide hydrochloride::beta-sulfone 7f

SMILES: Cc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2(CCN(CC#C)CC2)C(=O)NO)cc1C

InChI Key: InChIKey=ZBOSPOSQGJWURE-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 11869   
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-8 (MMP-8)


(Homo sapiens (Human))
BDBM11869
PNG
(4-({[4-(3,4-Dimethylphenoxy)phenyl]sulfonyl}methyl...)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2(CCN(CC#C)CC2)C(=O)NO)cc1C
Show InChI InChI=1S/C24H28N2O5S/c1-4-13-26-14-11-24(12-15-26,23(27)25-28)17-32(29,30)22-9-7-20(8-10-22)31-21-6-5-18(2)19(3)16-21/h1,5-10,16,28H,11-15,17H2,2-3H3,(H,25,27)
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0.700n/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


(Homo sapiens (Human))
BDBM11869
PNG
(4-({[4-(3,4-Dimethylphenoxy)phenyl]sulfonyl}methyl...)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2(CCN(CC#C)CC2)C(=O)NO)cc1C
Show InChI InChI=1S/C24H28N2O5S/c1-4-13-26-14-11-24(12-15-26,23(27)25-28)17-32(29,30)22-9-7-20(8-10-22)31-21-6-5-18(2)19(3)16-21/h1,5-10,16,28H,11-15,17H2,2-3H3,(H,25,27)
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0.800n/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
Collagenase


(Homo sapiens (Human))
BDBM11869
PNG
(4-({[4-(3,4-Dimethylphenoxy)phenyl]sulfonyl}methyl...)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2(CCN(CC#C)CC2)C(=O)NO)cc1C
Show InChI InChI=1S/C24H28N2O5S/c1-4-13-26-14-11-24(12-15-26,23(27)25-28)17-32(29,30)22-9-7-20(8-10-22)31-21-6-5-18(2)19(3)16-21/h1,5-10,16,28H,11-15,17H2,2-3H3,(H,25,27)
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0.900n/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


(Homo sapiens (Human))
BDBM11869
PNG
(4-({[4-(3,4-Dimethylphenoxy)phenyl]sulfonyl}methyl...)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2(CCN(CC#C)CC2)C(=O)NO)cc1C
Show InChI InChI=1S/C24H28N2O5S/c1-4-13-26-14-11-24(12-15-26,23(27)25-28)17-32(29,30)22-9-7-20(8-10-22)31-21-6-5-18(2)19(3)16-21/h1,5-10,16,28H,11-15,17H2,2-3H3,(H,25,27)
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7n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM11869
PNG
(4-({[4-(3,4-Dimethylphenoxy)phenyl]sulfonyl}methyl...)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2(CCN(CC#C)CC2)C(=O)NO)cc1C
Show InChI InChI=1S/C24H28N2O5S/c1-4-13-26-14-11-24(12-15-26,23(27)25-28)17-32(29,30)22-9-7-20(8-10-22)31-21-6-5-18(2)19(3)16-21/h1,5-10,16,28H,11-15,17H2,2-3H3,(H,25,27)
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18.1n/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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM11869
PNG
(4-({[4-(3,4-Dimethylphenoxy)phenyl]sulfonyl}methyl...)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2(CCN(CC#C)CC2)C(=O)NO)cc1C
Show InChI InChI=1S/C24H28N2O5S/c1-4-13-26-14-11-24(12-15-26,23(27)25-28)17-32(29,30)22-9-7-20(8-10-22)31-21-6-5-18(2)19(3)16-21/h1,5-10,16,28H,11-15,17H2,2-3H3,(H,25,27)
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PubMed
7.70E+3 -6.97n/an/an/an/an/a7.525



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