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31 similar compounds to monomer 50168737

Compile data set for download or QSAR
Wt: 440.8
BDBM50113022
Wt: 474.4
BDBM50113037
Wt: 448.5
BDBM50146639
Wt: 452.4
BDBM50168738
Wt: 438.4
BDBM50168739
Wt: 480.5
BDBM50168740
Wt: 452.4
BDBM50168741
Wt: 452.4
BDBM50168743
Wt: 450.5
BDBM50168744
Wt: 454.9
BDBM50168745
Wt: 454.9
BDBM50168746
Wt: 438.4
BDBM50168748
Wt: 452.4
BDBM50168751
Wt: 434.5
BDBM50168752
Wt: 438.4
BDBM50168753
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 50113022,50113037,50146639,50168738,50168739,50168740,50168741,50168743,50168744,50168745,50168746,50168748,50168751,50168752,50168753   
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))
BDBM50168748
PNG
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
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 Global Research and Development

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))
BDBM50168743
PNG
((2R,3R)-1-[4-(3-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1c(F)cccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-15(5-3-6-18(14)22)13-30-16-7-9-17(10-8-16)31(28,29)24-12-4-11-21(2,26)19(24)20(25)23-27/h3,5-10,19,26-27H,4,11-13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50168744
PNG
((2R,3R)-3-Hydroxy-1-[4-(2-methoxy-benzyloxy)-benze...)
Show SMILES COc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O7S/c1-21(25)12-5-13-23(19(21)20(24)22-26)31(27,28)17-10-8-16(9-11-17)30-14-15-6-3-4-7-18(15)29-2/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50168741
PNG
((2R,3R)-1-[4-(4-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-12-16(22)5-4-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168748
PNG
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50168752
PNG
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(2-methyl-benzylox...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O6S/c1-15-6-3-4-7-16(15)14-29-17-8-10-18(11-9-17)30(27,28)23-13-5-12-21(2,25)19(23)20(24)22-26/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50168739
PNG
((2R,3R)-1-[4-(3-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)10-3-11-23(18(20)19(24)22-26)30(27,28)17-8-6-16(7-9-17)29-13-14-4-2-5-15(21)12-14/h2,4-9,12,18,25-26H,3,10-11,13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50168746
PNG
((2R,3R)-1-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H23ClN2O6S/c1-20(25)10-3-11-23(18(20)19(24)22-26)30(27,28)17-8-6-16(7-9-17)29-13-14-4-2-5-15(21)12-14/h2,4-9,12,18,25-26H,3,10-11,13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168748
PNG
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50168745
PNG
(CHEMBL183474 | i(2R,3R)-1-[4-(2-Chloro-benzyloxy)-...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C20H23ClN2O6S/c1-20(25)11-4-12-23(18(20)19(24)22-26)30(27,28)16-9-7-15(8-10-16)29-13-14-5-2-3-6-17(14)21/h2-3,5-10,18,25-26H,4,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50168753
PNG
((2R,3R)-1-[4-(2-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-4-12-23(18(20)19(24)22-26)30(27,28)16-9-7-15(8-10-16)29-13-14-5-2-3-6-17(14)21/h2-3,5-10,18,25-26H,4,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50113022
PNG
((2R,4S)-1-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C19H21ClN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

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 Global Research and Development

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
Matrix metalloproteinase-1 (MMP1)


(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 3.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

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
Collagenase


(Homo sapiens (human))
BDBM50113022
PNG
((2R,4S)-1-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C19H21ClN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50113022
PNG
((2R,4S)-1-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C19H21ClN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168740
PNG
((2R,3S)-3-Butyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)
Show SMILES CCCC[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H29FN2O6S/c1-2-3-13-23(28)14-4-15-26(21(23)22(27)25-29)33(30,31)20-11-9-19(10-12-20)32-16-17-5-7-18(24)8-6-17/h5-12,21,28-29H,2-4,13-16H2,1H3,(H,25,27)/t21-,23-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168741
PNG
((2R,3R)-1-[4-(4-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-12-16(22)5-4-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168744
PNG
((2R,3R)-3-Hydroxy-1-[4-(2-methoxy-benzyloxy)-benze...)
Show SMILES COc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O7S/c1-21(25)12-5-13-23(19(21)20(24)22-26)31(27,28)17-10-8-16(9-11-17)30-14-15-6-3-4-7-18(15)29-2/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168748
PNG
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168751
PNG
((2R,3R)-3-Ethyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)
Show SMILES CC[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H25FN2O6S/c1-2-21(26)12-3-13-24(19(21)20(25)23-27)31(28,29)18-10-8-17(9-11-18)30-14-15-4-6-16(22)7-5-15/h4-11,19,26-27H,2-3,12-14H2,1H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168743
PNG
((2R,3R)-1-[4-(3-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1c(F)cccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-15(5-3-6-18(14)22)13-30-16-7-9-17(10-8-16)31(28,29)24-12-4-11-21(2,26)19(24)20(25)23-27/h3,5-10,19,26-27H,4,11-13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168738
PNG
((2R,3R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-4-5-16(22)12-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168751
PNG
((2R,3R)-3-Ethyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)
Show SMILES CC[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H25FN2O6S/c1-2-21(26)12-3-13-24(19(21)20(25)23-27)31(28,29)18-10-8-17(9-11-18)30-14-15-4-6-16(22)7-5-15/h4-11,19,26-27H,2-3,12-14H2,1H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168748
PNG
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168743
PNG
((2R,3R)-1-[4-(3-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1c(F)cccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-15(5-3-6-18(14)22)13-30-16-7-9-17(10-8-16)31(28,29)24-12-4-11-21(2,26)19(24)20(25)23-27/h3,5-10,19,26-27H,4,11-13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168746
PNG
((2R,3R)-1-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H23ClN2O6S/c1-20(25)10-3-11-23(18(20)19(24)22-26)30(27,28)17-8-6-16(7-9-17)29-13-14-4-2-5-15(21)12-14/h2,4-9,12,18,25-26H,3,10-11,13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168753
PNG
((2R,3R)-1-[4-(2-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-4-12-23(18(20)19(24)22-26)30(27,28)16-9-7-15(8-10-16)29-13-14-5-2-3-6-17(14)21/h2-3,5-10,18,25-26H,4,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168741
PNG
((2R,3R)-1-[4-(4-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-12-16(22)5-4-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168745
PNG
(CHEMBL183474 | i(2R,3R)-1-[4-(2-Chloro-benzyloxy)-...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C20H23ClN2O6S/c1-20(25)11-4-12-23(18(20)19(24)22-26)30(27,28)16-9-7-15(8-10-16)29-13-14-5-2-3-6-17(14)21/h2-3,5-10,18,25-26H,4,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168740
PNG
((2R,3S)-3-Butyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)
Show SMILES CCCC[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H29FN2O6S/c1-2-3-13-23(28)14-4-15-26(21(23)22(27)25-29)33(30,31)20-11-9-19(10-12-20)32-16-17-5-7-18(24)8-6-17/h5-12,21,28-29H,2-4,13-16H2,1H3,(H,25,27)/t21-,23-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168752
PNG
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(2-methyl-benzylox...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O6S/c1-15-6-3-4-7-16(15)14-29-17-8-10-18(11-9-17)30(27,28)23-13-5-12-21(2,25)19(23)20(24)22-26/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168739
PNG
((2R,3R)-1-[4-(3-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)10-3-11-23(18(20)19(24)22-26)30(27,28)17-8-6-16(7-9-17)29-13-14-4-2-5-15(21)12-14/h2,4-9,12,18,25-26H,3,10-11,13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50146639
PNG
(1-[4-(2,4-Dimethyl-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)N2CCCC(C)(O)C2C(=O)NO)c(C)c1
Show InChI InChI=1S/C22H28N2O6S/c1-15-5-6-17(16(2)13-15)14-30-18-7-9-19(10-8-18)31(28,29)24-12-4-11-22(3,26)20(24)21(25)23-27/h5-10,13,20,26-27H,4,11-12,14H2,1-3H3,(H,23,25)
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n/an/a 10n/an/an/an/an/an/a



De Novo Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-1


J Med Chem 47: 2761-7 (2004)


Article DOI: 10.1021/jm031061l
BindingDB Entry DOI: 10.7270/Q2ZG6T0B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168744
PNG
((2R,3R)-3-Hydroxy-1-[4-(2-methoxy-benzyloxy)-benze...)
Show SMILES COc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O7S/c1-21(25)12-5-13-23(19(21)20(24)22-26)31(27,28)17-10-8-16(9-11-17)30-14-15-6-3-4-7-18(15)29-2/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/m0/s1
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n/an/a 2.57E+3n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168746
PNG
((2R,3R)-1-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H23ClN2O6S/c1-20(25)10-3-11-23(18(20)19(24)22-26)30(27,28)17-8-6-16(7-9-17)29-13-14-4-2-5-15(21)12-14/h2,4-9,12,18,25-26H,3,10-11,13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 851n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168739
PNG
((2R,3R)-1-[4-(3-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)10-3-11-23(18(20)19(24)22-26)30(27,28)17-8-6-16(7-9-17)29-13-14-4-2-5-15(21)12-14/h2,4-9,12,18,25-26H,3,10-11,13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 339n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168745
PNG
(CHEMBL183474 | i(2R,3R)-1-[4-(2-Chloro-benzyloxy)-...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C20H23ClN2O6S/c1-20(25)11-4-12-23(18(20)19(24)22-26)30(27,28)16-9-7-15(8-10-16)29-13-14-5-2-3-6-17(14)21/h2-3,5-10,18,25-26H,4,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 269n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168741
PNG
((2R,3R)-1-[4-(4-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-12-16(22)5-4-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 219n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168753
PNG
((2R,3R)-1-[4-(2-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-4-12-23(18(20)19(24)22-26)30(27,28)16-9-7-15(8-10-16)29-13-14-5-2-3-6-17(14)21/h2-3,5-10,18,25-26H,4,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 182n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168748
PNG
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
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n/an/a 417n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168738
PNG
((2R,3R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-4-5-16(22)12-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 603n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168752
PNG
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(2-methyl-benzylox...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O6S/c1-15-6-3-4-7-16(15)14-29-17-8-10-18(11-9-17)30(27,28)23-13-5-12-21(2,25)19(23)20(24)22-26/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/m0/s1
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n/an/a 309n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50168743
PNG
((2R,3R)-1-[4-(3-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1c(F)cccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-15(5-3-6-18(14)22)13-30-16-7-9-17(10-8-16)31(28,29)24-12-4-11-21(2,26)19(24)20(25)23-27/h3,5-10,19,26-27H,4,11-13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50113022
PNG
((2R,4S)-1-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C19H21ClN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

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))
BDBM50113022
PNG
((2R,4S)-1-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C19H21ClN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Pfizer Global Research and Development

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))
BDBM50168738
PNG
((2R,3R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-4-5-16(22)12-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair