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5 similar compounds to monomer 50250808

Compile data set for download or QSAR
Wt: 718.6
BDBM86024
Purchase
Wt: 566.5
BDBM50310827
Wt: 566.5
BDBM50386894
Wt: 594.5
BDBM50386895
Wt: 720.6
BDBM50414251

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 86024,50310827,50386894,50386895,50414251   
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
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50414251
PNG
(SALVIANOLIC ACID B)
Show SMILES OC(OC(Cc1ccc(O)c(O)c1)C(O)=O)C1C(Oc2cc(O)cc(\C=C\C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C36H32O16/c37-20-13-18(4-8-30(44)50-28(34(45)46)11-16-1-5-21(38)24(41)9-16)31-27(15-20)51-33(19-3-7-23(40)26(43)14-19)32(31)36(49)52-29(35(47)48)12-17-2-6-22(39)25(42)10-17/h1-10,13-15,28-29,32-33,36-43,49H,11-12H2,(H,45,46)(H,47,48)/b8-4+
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PubMed
36 -10.1n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50414251
PNG
(SALVIANOLIC ACID B)
Show SMILES OC(OC(Cc1ccc(O)c(O)c1)C(O)=O)C1C(Oc2cc(O)cc(\C=C\C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C36H32O16/c37-20-13-18(4-8-30(44)50-28(34(45)46)11-16-1-5-21(38)24(41)9-16)31-27(15-20)51-33(19-3-7-23(40)26(43)14-19)32(31)36(49)52-29(35(47)48)12-17-2-6-22(39)25(42)10-17/h1-10,13-15,28-29,32-33,36-43,49H,11-12H2,(H,45,46)(H,47,48)/b8-4+
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66 -9.79n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50414251
PNG
(SALVIANOLIC ACID B)
Show SMILES OC(OC(Cc1ccc(O)c(O)c1)C(O)=O)C1C(Oc2cc(O)cc(\C=C\C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C36H32O16/c37-20-13-18(4-8-30(44)50-28(34(45)46)11-16-1-5-21(38)24(41)9-16)31-27(15-20)51-33(19-3-7-23(40)26(43)14-19)32(31)36(49)52-29(35(47)48)12-17-2-6-22(39)25(42)10-17/h1-10,13-15,28-29,32-33,36-43,49H,11-12H2,(H,45,46)(H,47,48)/b8-4+
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454 -8.65n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50414251
PNG
(SALVIANOLIC ACID B)
Show SMILES OC(OC(Cc1ccc(O)c(O)c1)C(O)=O)C1C(Oc2cc(O)cc(\C=C\C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C36H32O16/c37-20-13-18(4-8-30(44)50-28(34(45)46)11-16-1-5-21(38)24(41)9-16)31-27(15-20)51-33(19-3-7-23(40)26(43)14-19)32(31)36(49)52-29(35(47)48)12-17-2-6-22(39)25(42)10-17/h1-10,13-15,28-29,32-33,36-43,49H,11-12H2,(H,45,46)(H,47,48)/b8-4+
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>1.00E+4>-6.82n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50414251
PNG
(SALVIANOLIC ACID B)
Show SMILES OC(OC(Cc1ccc(O)c(O)c1)C(O)=O)C1C(Oc2cc(O)cc(\C=C\C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C36H32O16/c37-20-13-18(4-8-30(44)50-28(34(45)46)11-16-1-5-21(38)24(41)9-16)31-27(15-20)51-33(19-3-7-23(40)26(43)14-19)32(31)36(49)52-29(35(47)48)12-17-2-6-22(39)25(42)10-17/h1-10,13-15,28-29,32-33,36-43,49H,11-12H2,(H,45,46)(H,47,48)/b8-4+
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>1.00E+4>-6.82n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50386895
PNG
(CHEMBL2048506)
Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/m1/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50386894
PNG
(CHEMBL2048505)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,26-/m1/s1
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n/an/a 8.23E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50386895
PNG
(CHEMBL2048506)
Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/m1/s1
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n/an/a 3.25E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50386894
PNG
(CHEMBL2048505)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,26-/m1/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50386895
PNG
(CHEMBL2048506)
Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/m1/s1
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n/an/a 1.55E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50386894
PNG
(CHEMBL2048505)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,26-/m1/s1
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n/an/a 8.15E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50386895
PNG
(CHEMBL2048506)
Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/m1/s1
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n/an/a 1.48E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50386894
PNG
(CHEMBL2048505)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,26-/m1/s1
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n/an/a 990n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50386895
PNG
(CHEMBL2048506)
Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/m1/s1
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n/an/a 3.46E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50386894
PNG
(CHEMBL2048505)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,26-/m1/s1
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n/an/a 670n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50386894
PNG
(CHEMBL2048505)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,26-/m1/s1
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n/an/a 1.85E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50414251
PNG
(SALVIANOLIC ACID B)
Show SMILES OC(OC(Cc1ccc(O)c(O)c1)C(O)=O)C1C(Oc2cc(O)cc(\C=C\C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C36H32O16/c37-20-13-18(4-8-30(44)50-28(34(45)46)11-16-1-5-21(38)24(41)9-16)31-27(15-20)51-33(19-3-7-23(40)26(43)14-19)32(31)36(49)52-29(35(47)48)12-17-2-6-22(39)25(42)10-17/h1-10,13-15,28-29,32-33,36-43,49H,11-12H2,(H,45,46)(H,47,48)/b8-4+
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n/an/a 4.10E+4n/an/an/an/an/an/a



Max Planck Institute of Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of LCK SH2 domain


Bioorg Med Chem Lett 19: 3305-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.083
BindingDB Entry DOI: 10.7270/Q29P32WX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414251
PNG
(SALVIANOLIC ACID B)
Show SMILES OC(OC(Cc1ccc(O)c(O)c1)C(O)=O)C1C(Oc2cc(O)cc(\C=C\C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C36H32O16/c37-20-13-18(4-8-30(44)50-28(34(45)46)11-16-1-5-21(38)24(41)9-16)31-27(15-20)51-33(19-3-7-23(40)26(43)14-19)32(31)36(49)52-29(35(47)48)12-17-2-6-22(39)25(42)10-17/h1-10,13-15,28-29,32-33,36-43,49H,11-12H2,(H,45,46)(H,47,48)/b8-4+
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n/an/a 9.00E+4n/an/an/an/an/an/a



Max Planck Institute of Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of c-SRC SH2 domain


Bioorg Med Chem Lett 19: 3305-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.083
BindingDB Entry DOI: 10.7270/Q29P32WX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-2 (MMP-2)


(Rattus norvegicus (Rat))
BDBM50310827
PNG
(CHEMBL1079357 | clinopodic acid H)
Show SMILES COc1cc(C[C@@H](OC(=O)\C=C\c2ccc(O)c3O[C@@H]([C@@H](C(O)=O)c23)c2ccc(O)c(OC)c2)C(O)=O)ccc1O
Show InChI InChI=1S/C29H26O12/c1-38-20-11-14(3-7-17(20)30)12-22(28(34)35)40-23(33)10-6-15-4-9-19(32)27-24(15)25(29(36)37)26(41-27)16-5-8-18(31)21(13-16)39-2/h3-11,13,22,25-26,30-32H,12H2,1-2H3,(H,34,35)(H,36,37)/b10-6+/t22-,25+,26-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of gelatinolytic activity of MMP2 in rat lung homogenate after 40 mins by SDS-PAGE preincubated for 30 mins


J Nat Prod 72: 1379-84 (2009)


Article DOI: 10.1021/np800781t
BindingDB Entry DOI: 10.7270/Q2891602
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86024
PNG
(Lithospermic acid, 3)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H](C(C(=O)O[C@@H](Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28+,31?,32-/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/a25



University of Athens



Assay Description
soybean lipoxygenase and linoleic acid sodium salt were obtained from Sigma Chemical, Co. in St. Louis, MO. Each experiment of the in vitro assay wa...


J Enzyme Inhib Med Chem 22: 99-104 (2007)


Article DOI: 10.1080/14756360600991017
BindingDB Entry DOI: 10.7270/Q22N50VW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50386895
PNG
(CHEMBL2048506)
Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/m1/s1
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n/an/a 2.45E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair