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52 similar compounds to monomer 50113045

Compile data set for download or QSAR
Wt: 482.5
BDBM50113020
Wt: 420.4
BDBM50113023
Wt: 424.4
BDBM50113024
Wt: 456.5
BDBM50113025
Wt: 431.4
BDBM50113026
Wt: 420.4
BDBM50113028
Wt: 420.4
BDBM50113030
Wt: 431.4
BDBM50113031
Wt: 474.4
BDBM50113033
Wt: 436.4
BDBM50113036
Wt: 474.4
BDBM50113037
Wt: 406.4
BDBM50113038
Wt: 448.5
BDBM50113039
Wt: 474.4
BDBM50113041
Wt: 431.4
BDBM50113042
Displayed 1 to 15 (of 52 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50113020,50113023,50113024,50113025,50113026,50113028,50113030,50113031,50113033,50113036,50113037,50113038,50113039,50113041,50113042   
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
ADAM17


(Homo sapiens (Human))
BDBM50113020
PNG
((2R,4S)-1-[4-(Biphenyl-2-ylmethoxy)-benzenesulfony...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C25H26N2O6S/c28-20-14-15-27(24(16-20)25(29)26-30)34(31,32)22-12-10-21(11-13-22)33-17-19-8-4-5-9-23(19)18-6-2-1-3-7-18/h1-13,20,24,28,30H,14-17H2,(H,26,29)/t20-,24+/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113030
PNG
((2R,4S)-4-Hydroxy-1-[4-(4-methyl-benzyloxy)-benzen...)
Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)cc1
Show InChI InChI=1S/C20H24N2O6S/c1-14-2-4-15(5-3-14)13-28-17-6-8-18(9-7-17)29(26,27)22-11-10-16(23)12-19(22)20(24)21-25/h2-9,16,19,23,25H,10-13H2,1H3,(H,21,24)/t16-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113026
PNG
((2R,5R)-1-[4-(3-Cyano-benzyloxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc(c2)C#N)cc1
Show InChI InChI=1S/C20H21N3O6S/c21-11-14-2-1-3-15(10-14)13-29-17-5-7-18(8-6-17)30(27,28)23-12-16(24)4-9-19(23)20(25)22-26/h1-3,5-8,10,16,19,24,26H,4,9,12-13H2,(H,22,25)/t16-,19-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113028
PNG
((2R,4S)-4-Hydroxy-1-[4-(2-methyl-benzyloxy)-benzen...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CC[C@H](O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H24N2O6S/c1-14-4-2-3-5-15(14)13-28-17-6-8-18(9-7-17)29(26,27)22-11-10-16(23)12-19(22)20(24)21-25/h2-9,16,19,23,25H,10-13H2,1H3,(H,21,24)/t16-,19+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113030
PNG
((2R,4S)-4-Hydroxy-1-[4-(4-methyl-benzyloxy)-benzen...)
Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)cc1
Show InChI InChI=1S/C20H24N2O6S/c1-14-2-4-15(5-3-14)13-28-17-6-8-18(9-7-17)29(26,27)22-11-10-16(23)12-19(22)20(24)21-25/h2-9,16,19,23,25H,10-13H2,1H3,(H,21,24)/t16-,19+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113031
PNG
((2R,5R)-1-[4-(2-Cyano-benzyloxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H21N3O6S/c21-11-14-3-1-2-4-15(14)13-29-17-6-8-18(9-7-17)30(27,28)23-12-16(24)5-10-19(23)20(25)22-26/h1-4,6-9,16,19,24,26H,5,10,12-13H2,(H,22,25)/t16-,19-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113030
PNG
((2R,4S)-4-Hydroxy-1-[4-(4-methyl-benzyloxy)-benzen...)
Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)cc1
Show InChI InChI=1S/C20H24N2O6S/c1-14-2-4-15(5-3-14)13-28-17-6-8-18(9-7-17)29(26,27)22-11-10-16(23)12-19(22)20(24)21-25/h2-9,16,19,23,25H,10-13H2,1H3,(H,21,24)/t16-,19+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113036
PNG
((2R,4S)-4-Hydroxy-1-[4-(3-methoxy-benzyloxy)-benze...)
Show SMILES COc1cccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)c1
Show InChI InChI=1S/C20H24N2O7S/c1-28-17-4-2-3-14(11-17)13-29-16-5-7-18(8-6-16)30(26,27)22-10-9-15(23)12-19(22)20(24)21-25/h2-8,11,15,19,23,25H,9-10,12-13H2,1H3,(H,21,24)/t15-,19+/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113037
PNG
((2R,5R)-5-Hydroxy-1-[4-(4-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)14-3-1-13(2-4-14)12-31-16-6-8-17(9-7-16)32(29,30)25-11-15(26)5-10-18(25)19(27)24-28/h1-4,6-9,15,18,26,28H,5,10-12H2,(H,24,27)/t15-,18-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113038
PNG
((2R,4S)-1-(4-Benzyloxy-benzenesulfonyl)-4-hydroxy-...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O6S/c22-15-10-11-21(18(12-15)19(23)20-24)28(25,26)17-8-6-16(7-9-17)27-13-14-4-2-1-3-5-14/h1-9,15,18,22,24H,10-13H2,(H,20,23)/t15-,18+/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113033
PNG
((2R,5R)-5-Hydroxy-1-[4-(3-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)14-3-1-2-13(10-14)12-31-16-5-7-17(8-6-16)32(29,30)25-11-15(26)4-9-18(25)19(27)24-28/h1-3,5-8,10,15,18,26,28H,4,9,11-12H2,(H,24,27)/t15-,18-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113041
PNG
((2R,5R)-5-Hydroxy-1-[4-(2-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)17-4-2-1-3-13(17)12-31-15-6-8-16(9-7-15)32(29,30)25-11-14(26)5-10-18(25)19(27)24-28/h1-4,6-9,14,18,26,28H,5,10-12H2,(H,24,27)/t14-,18-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113038
PNG
((2R,4S)-1-(4-Benzyloxy-benzenesulfonyl)-4-hydroxy-...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O6S/c22-15-10-11-21(18(12-15)19(23)20-24)28(25,26)17-8-6-16(7-9-17)27-13-14-4-2-1-3-5-14/h1-9,15,18,22,24H,10-13H2,(H,20,23)/t15-,18+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113033
PNG
((2R,5R)-5-Hydroxy-1-[4-(3-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)14-3-1-2-13(10-14)12-31-16-5-7-17(8-6-16)32(29,30)25-11-15(26)4-9-18(25)19(27)24-28/h1-3,5-8,10,15,18,26,28H,4,9,11-12H2,(H,24,27)/t15-,18-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113036
PNG
((2R,4S)-4-Hydroxy-1-[4-(3-methoxy-benzyloxy)-benze...)
Show SMILES COc1cccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)c1
Show InChI InChI=1S/C20H24N2O7S/c1-28-17-4-2-3-14(11-17)13-29-16-5-7-18(8-6-16)30(26,27)22-10-9-15(23)12-19(22)20(24)21-25/h2-8,11,15,19,23,25H,9-10,12-13H2,1H3,(H,21,24)/t15-,19+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113023
PNG
((2R,4S)-4-Hydroxy-1-[4-(3-methyl-benzyloxy)-benzen...)
Show SMILES Cc1cccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)c1
Show InChI InChI=1S/C20H24N2O6S/c1-14-3-2-4-15(11-14)13-28-17-5-7-18(8-6-17)29(26,27)22-10-9-16(23)12-19(22)20(24)21-25/h2-8,11,16,19,23,25H,9-10,12-13H2,1H3,(H,21,24)/t16-,19+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113037
PNG
((2R,5R)-5-Hydroxy-1-[4-(4-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)14-3-1-13(2-4-14)12-31-16-6-8-17(9-7-16)32(29,30)25-11-15(26)5-10-18(25)19(27)24-28/h1-4,6-9,15,18,26,28H,5,10-12H2,(H,24,27)/t15-,18-/m1/s1
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PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113041
PNG
((2R,5R)-5-Hydroxy-1-[4-(2-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)17-4-2-1-3-13(17)12-31-15-6-8-16(9-7-15)32(29,30)25-11-14(26)5-10-18(25)19(27)24-28/h1-4,6-9,14,18,26,28H,5,10-12H2,(H,24,27)/t14-,18-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113042
PNG
((2R,4S)-1-[4-(4-Cyano-benzyloxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C20H21N3O6S/c21-12-14-1-3-15(4-2-14)13-29-17-5-7-18(8-6-17)30(27,28)23-10-9-16(24)11-19(23)20(25)22-26/h1-8,16,19,24,26H,9-11,13H2,(H,22,25)/t16-,19+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113031
PNG
((2R,5R)-1-[4-(2-Cyano-benzyloxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H21N3O6S/c21-11-14-3-1-2-4-15(14)13-29-17-6-8-18(9-7-17)30(27,28)23-12-16(24)5-10-19(23)20(25)22-26/h1-4,6-9,16,19,24,26H,5,10,12-13H2,(H,22,25)/t16-,19-/m1/s1
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PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113038
PNG
((2R,4S)-1-(4-Benzyloxy-benzenesulfonyl)-4-hydroxy-...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O6S/c22-15-10-11-21(18(12-15)19(23)20-24)28(25,26)17-8-6-16(7-9-17)27-13-14-4-2-1-3-5-14/h1-9,15,18,22,24H,10-13H2,(H,20,23)/t15-,18+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant tumor necrosis factor-alpha converting enzyme.


Bioorg Med Chem Lett 13: 3243-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00666-8
BindingDB Entry DOI: 10.7270/Q2Q23ZMM
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113038
PNG
((2R,4S)-1-(4-Benzyloxy-benzenesulfonyl)-4-hydroxy-...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O6S/c22-15-10-11-21(18(12-15)19(23)20-24)28(25,26)17-8-6-16(7-9-17)27-13-14-4-2-1-3-5-14/h1-9,15,18,22,24H,10-13H2,(H,20,23)/t15-,18+/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-1.


Bioorg Med Chem Lett 13: 3243-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00666-8
BindingDB Entry DOI: 10.7270/Q2Q23ZMM
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113025
PNG
((2R,5R)-5-Hydroxy-1-[4-(naphthalen-1-ylmethoxy)-be...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C23H24N2O6S/c26-18-8-13-22(23(27)24-28)25(14-18)32(29,30)20-11-9-19(10-12-20)31-15-17-6-3-5-16-4-1-2-7-21(16)17/h1-7,9-12,18,22,26,28H,8,13-15H2,(H,24,27)/t18-,22-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113024
PNG
((2R,4S)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H21FN2O6S/c20-14-3-1-13(2-4-14)12-28-16-5-7-17(8-6-16)29(26,27)22-10-9-15(23)11-18(22)19(24)21-25/h1-8,15,18,23,25H,9-12H2,(H,21,24)/t15-,18+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113039
PNG
((2R,5R)-5-Hydroxy-1-[4-(2-isopropyl-benzyloxy)-ben...)
Show SMILES CC(C)c1ccccc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO
Show InChI InChI=1S/C22H28N2O6S/c1-15(2)20-6-4-3-5-16(20)14-30-18-8-10-19(11-9-18)31(28,29)24-13-17(25)7-12-21(24)22(26)23-27/h3-6,8-11,15,17,21,25,27H,7,12-14H2,1-2H3,(H,23,26)/t17-,21-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113042
PNG
((2R,4S)-1-[4-(4-Cyano-benzyloxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C20H21N3O6S/c21-12-14-1-3-15(4-2-14)13-29-17-5-7-18(8-6-17)30(27,28)23-10-9-16(24)11-19(23)20(25)22-26/h1-8,16,19,24,26H,9-11,13H2,(H,22,25)/t16-,19+/m0/s1
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n/an/a 7.70E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113028
PNG
((2R,4S)-4-Hydroxy-1-[4-(2-methyl-benzyloxy)-benzen...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CC[C@H](O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H24N2O6S/c1-14-4-2-3-5-15(14)13-28-17-6-8-18(9-7-17)29(26,27)22-11-10-16(23)12-19(22)20(24)21-25/h2-9,16,19,23,25H,10-13H2,1H3,(H,21,24)/t16-,19+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113039
PNG
((2R,5R)-5-Hydroxy-1-[4-(2-isopropyl-benzyloxy)-ben...)
Show SMILES CC(C)c1ccccc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO
Show InChI InChI=1S/C22H28N2O6S/c1-15(2)20-6-4-3-5-16(20)14-30-18-8-10-19(11-9-18)31(28,29)24-13-17(25)7-12-21(24)22(26)23-27/h3-6,8-11,15,17,21,25,27H,7,12-14H2,1-2H3,(H,23,26)/t17-,21-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113024
PNG
((2R,4S)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H21FN2O6S/c20-14-3-1-13(2-4-14)12-28-16-5-7-17(8-6-16)29(26,27)22-10-9-15(23)11-18(22)19(24)21-25/h1-8,15,18,23,25H,9-12H2,(H,21,24)/t15-,18+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113042
PNG
((2R,4S)-1-[4-(4-Cyano-benzyloxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C20H21N3O6S/c21-12-14-1-3-15(4-2-14)13-29-17-5-7-18(8-6-17)30(27,28)23-10-9-16(24)11-19(23)20(25)22-26/h1-8,16,19,24,26H,9-11,13H2,(H,22,25)/t16-,19+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113028
PNG
((2R,4S)-4-Hydroxy-1-[4-(2-methyl-benzyloxy)-benzen...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CC[C@H](O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H24N2O6S/c1-14-4-2-3-5-15(14)13-28-17-6-8-18(9-7-17)29(26,27)22-11-10-16(23)12-19(22)20(24)21-25/h2-9,16,19,23,25H,10-13H2,1H3,(H,21,24)/t16-,19+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113031
PNG
((2R,5R)-1-[4-(2-Cyano-benzyloxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H21N3O6S/c21-11-14-3-1-2-4-15(14)13-29-17-6-8-18(9-7-17)30(27,28)23-12-16(24)5-10-19(23)20(25)22-26/h1-4,6-9,16,19,24,26H,5,10,12-13H2,(H,22,25)/t16-,19-/m1/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113020
PNG
((2R,4S)-1-[4-(Biphenyl-2-ylmethoxy)-benzenesulfony...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C25H26N2O6S/c28-20-14-15-27(24(16-20)25(29)26-30)34(31,32)22-12-10-21(11-13-22)33-17-19-8-4-5-9-23(19)18-6-2-1-3-7-18/h1-13,20,24,28,30H,14-17H2,(H,26,29)/t20-,24+/m0/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113026
PNG
((2R,5R)-1-[4-(3-Cyano-benzyloxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc(c2)C#N)cc1
Show InChI InChI=1S/C20H21N3O6S/c21-11-14-2-1-3-15(10-14)13-29-17-5-7-18(8-6-17)30(27,28)23-12-16(24)4-9-19(23)20(25)22-26/h1-3,5-8,10,16,19,24,26H,4,9,12-13H2,(H,22,25)/t16-,19-/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113041
PNG
((2R,5R)-5-Hydroxy-1-[4-(2-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)17-4-2-1-3-13(17)12-31-15-6-8-16(9-7-15)32(29,30)25-11-14(26)5-10-18(25)19(27)24-28/h1-4,6-9,14,18,26,28H,5,10-12H2,(H,24,27)/t14-,18-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113037
PNG
((2R,5R)-5-Hydroxy-1-[4-(4-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)14-3-1-13(2-4-14)12-31-16-6-8-17(9-7-16)32(29,30)25-11-15(26)5-10-18(25)19(27)24-28/h1-4,6-9,15,18,26,28H,5,10-12H2,(H,24,27)/t15-,18-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113036
PNG
((2R,4S)-4-Hydroxy-1-[4-(3-methoxy-benzyloxy)-benze...)
Show SMILES COc1cccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)c1
Show InChI InChI=1S/C20H24N2O7S/c1-28-17-4-2-3-14(11-17)13-29-16-5-7-18(8-6-16)30(26,27)22-10-9-15(23)12-19(22)20(24)21-25/h2-8,11,15,19,23,25H,9-10,12-13H2,1H3,(H,21,24)/t15-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113025
PNG
((2R,5R)-5-Hydroxy-1-[4-(naphthalen-1-ylmethoxy)-be...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C23H24N2O6S/c26-18-8-13-22(23(27)24-28)25(14-18)32(29,30)20-11-9-19(10-12-20)31-15-17-6-3-5-16-4-1-2-7-21(16)17/h1-7,9-12,18,22,26,28H,8,13-15H2,(H,24,27)/t18-,22-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113033
PNG
((2R,5R)-5-Hydroxy-1-[4-(3-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)14-3-1-2-13(10-14)12-31-16-5-7-17(8-6-16)32(29,30)25-11-15(26)4-9-18(25)19(27)24-28/h1-3,5-8,10,15,18,26,28H,4,9,11-12H2,(H,24,27)/t15-,18-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113023
PNG
((2R,4S)-4-Hydroxy-1-[4-(3-methyl-benzyloxy)-benzen...)
Show SMILES Cc1cccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)c1
Show InChI InChI=1S/C20H24N2O6S/c1-14-3-2-4-15(11-14)13-28-17-5-7-18(8-6-17)29(26,27)22-10-9-16(23)12-19(22)20(24)21-25/h2-8,11,16,19,23,25H,9-10,12-13H2,1H3,(H,21,24)/t16-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113023
PNG
((2R,4S)-4-Hydroxy-1-[4-(3-methyl-benzyloxy)-benzen...)
Show SMILES Cc1cccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)c1
Show InChI InChI=1S/C20H24N2O6S/c1-14-3-2-4-15(11-14)13-28-17-5-7-18(8-6-17)29(26,27)22-10-9-16(23)12-19(22)20(24)21-25/h2-8,11,16,19,23,25H,9-10,12-13H2,1H3,(H,21,24)/t16-,19+/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined


Bioorg Med Chem Lett 12: 1387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00183-x
BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair