Found 21 hits with Last Name = 'van soest' and Initial = 'rw' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50030271
(CHEMBL127872 | N-[2-(8H-6-Thia-3,4,8-triaza-benzo[...)Show InChI InChI=1S/C20H16N4OS/c1-11(25)21-8-7-14-17-16-13(12-4-2-3-5-15(12)24-17)6-9-22-18(16)19-20(14)26-10-23-19/h2-6,9-10,24H,7-8H2,1H3,(H,21,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biowissenschaften
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane |
J Nat Prod 61: 301-5 (1998)
Article DOI: 10.1021/np9702704
BindingDB Entry DOI: 10.7270/Q2TD9X4K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biowissenschaften
Curated by ChEMBL
| Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane |
J Nat Prod 61: 301-5 (1998)
Article DOI: 10.1021/np9702704
BindingDB Entry DOI: 10.7270/Q2TD9X4K |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50030271
(CHEMBL127872 | N-[2-(8H-6-Thia-3,4,8-triaza-benzo[...)Show InChI InChI=1S/C20H16N4OS/c1-11(25)21-8-7-14-17-16-13(12-4-2-3-5-15(12)24-17)6-9-22-18(16)19-20(14)26-10-23-19/h2-6,9-10,24H,7-8H2,1H3,(H,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biowissenschaften
Curated by ChEMBL
| Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane |
J Nat Prod 61: 301-5 (1998)
Article DOI: 10.1021/np9702704
BindingDB Entry DOI: 10.7270/Q2TD9X4K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biowissenschaften
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane |
J Nat Prod 61: 301-5 (1998)
Article DOI: 10.1021/np9702704
BindingDB Entry DOI: 10.7270/Q2TD9X4K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biowissenschaften
Curated by ChEMBL
| Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane |
J Nat Prod 61: 301-5 (1998)
Article DOI: 10.1021/np9702704
BindingDB Entry DOI: 10.7270/Q2TD9X4K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biowissenschaften
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane |
J Nat Prod 61: 301-5 (1998)
Article DOI: 10.1021/np9702704
BindingDB Entry DOI: 10.7270/Q2TD9X4K |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50157741
(CHEMBL374508 | E-64 | E64)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 13.7 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cathepsin B was determined |
Bioorg Med Chem Lett 9: 3397-402 (1999)
BindingDB Entry DOI: 10.7270/Q2G44SGN |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50213272
(CHEBI:6426 | Leupeptin)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 21.6 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cathepsin B was determined |
Bioorg Med Chem Lett 9: 3397-402 (1999)
BindingDB Entry DOI: 10.7270/Q2G44SGN |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50217331
(TOKARAMIDE A)Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-c1ccc(-[#8])cc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C23H36N6O5/c1-13(2)18(21(33)27-16(12-30)6-5-11-26-23(24)25)29-22(34)19(14(3)4)28-20(32)15-7-9-17(31)10-8-15/h7-10,12-14,16,18-19,31H,5-6,11H2,1-4H3,(H,27,33)(H,28,32)(H,29,34)(H4,24,25,26)/t16-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 60.9 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cathepsin B was determined |
Bioorg Med Chem Lett 9: 3397-402 (1999)
BindingDB Entry DOI: 10.7270/Q2G44SGN |
More data for this
Ligand-Target Pair | |
Lysosomal alpha-glucosidase
(Homo sapiens (Human)) | BDBM50478556
(CORTICATIC ACID A)Show SMILES OC(\C=C\CCCCCC#CC\C=C/CCCCCCCCCCC\C=C/C#CC(O)=O)C#C Show InChI InChI=1S/C31H44O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6-,25-23-,28-26+ | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 344 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibition of alpha-glucosidase |
J Nat Prod 65: 922-4 (2002)
Article DOI: 10.1021/np0106642
BindingDB Entry DOI: 10.7270/Q20004T1 |
More data for this
Ligand-Target Pair | |
Sialidase
(Clostridium perfringens) | BDBM50478507
(Nobiloside)Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6](-[#8])=O)[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8][C@]2([H])[#8]-[#6@@H](-[#6@@H](-[#8][C@]4([H])[#8]-[#6@@H](-[#6@H](-[#8])-[#6@H](-[#8][C@]5([H])[#8]-[#6]-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]5-[#8])-[#6@H]4-[#8])-[#6](-[#8])=O)-[#6@H](-[#8])-[#6@H]2-[#8])-[#6](-[#8])=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,c:8| Show InChI InChI=1S/C47H72O19/c1-20(2)9-8-10-21(3)22-14-18-47(43(59)60)24-11-12-26-44(4,5)27(15-16-45(26,6)23(24)13-17-46(22,47)7)62-41-31(52)29(50)35(37(66-41)39(57)58)64-42-33(54)34(32(53)36(65-42)38(55)56)63-40-30(51)28(49)25(48)19-61-40/h9,21-22,25-37,40-42,48-54H,8,10-19H2,1-7H3,(H,55,56)(H,57,58)(H,59,60)/t21-,22-,25+,26+,27+,28+,29-,30-,31-,32-,33-,34+,35+,36+,37+,40+,41-,42-,45-,46-,47+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 488 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibition of Clostridium perfringens neuraminidase |
J Nat Prod 65: 411-3 (2002)
Article DOI: 10.1021/np010480n
BindingDB Entry DOI: 10.7270/Q2280BDH |
More data for this
Ligand-Target Pair | |
Lysosomal alpha-glucosidase
(Homo sapiens (Human)) | BDBM50478555
(Callyspongynic Acid)Show SMILES O[C@@H](\C=C\CCCCCC#CC#CCCCC#CCCCC#CCCCCCC#CC(O)=O)C#C |r| Show InChI InChI=1S/C32H38O3/c1-2-31(33)29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(34)35/h1,27,29,31,33H,3,5,7-8,10,12,17-26H2,(H,34,35)/b29-27+/t31-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 531 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibition of alpha-glucosidase |
J Nat Prod 65: 922-4 (2002)
Article DOI: 10.1021/np0106642
BindingDB Entry DOI: 10.7270/Q20004T1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Bos taurus (bovine)) | BDBM50484453
(Shishicrellastatin A)Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[H][C@]12[#6][C@]([#6])([#8]C1([#6])[#6])[#6@@H](-[#6]-[#6]-[#6@@H](-[#6])[C@@]1([H])[#6]-[#6][C@@]3([H])[#6]-4=[#6](-[#6]-[#6][C@]13[#6])[C@@]1([#6])[#6]-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#6])-[#6]1=[#6]-[#6]-4)-[#8][C@@]([H])([#6]2)[#6@@H](-[#6])[C@@]1([H])[#6]-[#6][C@@]2([H])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@]12[#6]-[#6][C@]([#8])([#8]-[#6]1)[#6@@H](-[#6])[C@]2([H])[#6@H](-[#6]-3)-[#8]S([#8-])(=O)=O |r,c:21,47,64| Show InChI InChI=1S/C56H86O16S3.3Na/c1-30(37-14-16-40-35-12-13-39-32(3)49(71-75(64,65)66)46(70-74(61,62)63)28-53(39,9)42(35)19-21-51(37,40)7)11-18-47-54(10)27-34(50(5,6)72-54)25-44(68-47)31(2)38-15-17-41-36-26-45(69-73(58,59)60)48-33(4)56(57)24-23-55(48,29-67-56)43(36)20-22-52(38,41)8;;;/h13,30-34,37-38,40-41,44-49,57H,11-12,14-29H2,1-10H3,(H,58,59,60)(H,61,62,63)(H,64,65,66);;;/q;3*+1/p-3/t30-,31+,32-,33+,34+,37-,38-,40+,41+,44+,45+,46+,47-,48-,49+,51-,52-,53+,54+,55+,56+;;;/m1.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin B after 1 hr by fluorescence assay |
Bioorg Med Chem 19: 6594-8 (2011)
Article DOI: 10.1016/j.bmc.2011.06.052
BindingDB Entry DOI: 10.7270/Q2PN98GC |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Bos taurus (bovine)) | BDBM50484452
(Shishicrellastatin B)Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[H][C@]12[#6][C@]([#6])([#8]C1([#6])[#6])[#6@@H](-[#6]-[#6]-[#6@@H](-[#6])[C@@]1([H])[#6]-[#6]=[#6]3-[#6]-4=[#6](-[#6]-[#6][C@]13[#6])[C@@]1([#6])[#6]-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#6])-[#6]1=[#6]-[#6]-4)-[#8][C@@]([H])([#6]2)[#6@@H](-[#6])[C@@]1([H])[#6]-[#6][C@@]2([H])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@]12[#6]-[#6][C@]([#8])([#8]-[#6]1)[#6@@H](-[#6])[C@]2([H])[#6@H](-[#6]-3)-[#8]S([#8-])(=O)=O |r,c:20,46,63,t:18| Show InChI InChI=1S/C56H84O16S3.3Na/c1-30(37-14-16-40-35-12-13-39-32(3)49(71-75(64,65)66)46(70-74(61,62)63)28-53(39,9)42(35)19-21-51(37,40)7)11-18-47-54(10)27-34(50(5,6)72-54)25-44(68-47)31(2)38-15-17-41-36-26-45(69-73(58,59)60)48-33(4)56(57)24-23-55(48,29-67-56)43(36)20-22-52(38,41)8;;;/h13,16,30-34,37-38,41,44-49,57H,11-12,14-15,17-29H2,1-10H3,(H,58,59,60)(H,61,62,63)(H,64,65,66);;;/q;3*+1/p-3/t30-,31+,32-,33+,34+,37-,38-,41+,44+,45+,46+,47-,48-,49+,51-,52-,53+,54+,55+,56+;;;/m1.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin B after 1 hr by fluorescence assay |
Bioorg Med Chem 19: 6594-8 (2011)
Article DOI: 10.1016/j.bmc.2011.06.052
BindingDB Entry DOI: 10.7270/Q2PN98GC |
More data for this
Ligand-Target Pair | |
Lysosomal alpha-glucosidase
(Homo sapiens (Human)) | BDBM50478557
(Petrosynol)Show SMILES O[C@@H](\C=C\CCCCCCC#C[C@@H](O)\C=C\[C@H](O)C#CCCCCCC\C=C\[C@H](O)C#C)C#C |r| Show InChI InChI=1S/C30H40O4/c1-3-27(31)21-17-13-9-5-7-11-15-19-23-29(33)25-26-30(34)24-20-16-12-8-6-10-14-18-22-28(32)4-2/h1-2,17-18,21-22,25-34H,5-16H2/b21-17+,22-18+,26-25+/t27-,28-,29-,30-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibition of alpha-glucosidase |
J Nat Prod 65: 922-4 (2002)
Article DOI: 10.1021/np0106642
BindingDB Entry DOI: 10.7270/Q20004T1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50223419
(CHEMBL88332)Show SMILES [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C1CCCCCC[n+]2cccc(CCCCCC\C=C\CCCCCC[n+]3cccc(CCCCC1)c3)c2 |t:30| Show InChI InChI=1S/C36H58N2/c1-2-5-9-13-17-21-29-37-31-24-28-36(34-37)26-20-16-12-8-4-6-10-14-18-22-30-38-32-23-27-35(33-38)25-19-15-11-7-3-1/h1-2,23-24,27-28,31-34H,3-22,25-26,29-30H2/q+2/b2-1+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibitory activity against histone deacetylase (HDAC) |
Bioorg Med Chem Lett 14: 2617-20 (2004)
BindingDB Entry DOI: 10.7270/Q2N87D0W |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50478536
(Halistanol Sulfate)Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[H][C@@]1([#6]-[#6][C@@]2([H])[C@]3([H])[#6]-[#6@H](-[#8]S([#8-])(=O)=O)[C@@]4([H])[#6]-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@]12[#6])-[#8]S([#8-])(=O)=O)[#6@H](-[#6])-[#6]-[#6]-[#6](-[#6])C([#6])([#6])[#6] |r| Show InChI InChI=1S/C29H52O12S3.3Na/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6;;;/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/t17-,18?,19+,20-,21+,22+,23-,24+,25+,26+,28-,29-;;;/m1.../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibition of truncated recombinant MT1-MMP expressed in Escherichia coli JM109 after 1 hr by fluorescence assay |
J Nat Prod 66: 569-71 (2003)
Article DOI: 10.1021/np020572s
BindingDB Entry DOI: 10.7270/Q2WH2SSF |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50223418
(CHEMBL313899)Show SMILES [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C1CCCCCCc2ccc[n+](CCCCCC\C=C\CCCCCCc3ccc[n+](CCCCCC1)c3)c2 |t:30| Show InChI InChI=1S/C37H60N2/c1-2-6-10-14-18-22-30-38-32-25-29-37(35-38)27-21-17-13-9-5-3-7-11-15-19-23-31-39-33-24-28-36(34-39)26-20-16-12-8-4-1/h1-2,24-25,28-29,32-35H,3-23,26-27,30-31H2/q+2/b2-1+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibitory activity against histone deacetylase (HDAC) |
Bioorg Med Chem Lett 14: 2617-20 (2004)
BindingDB Entry DOI: 10.7270/Q2N87D0W |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50478535
(CALLYSPONGINOL SULFATE A | CHEBI:65567)Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]C#C[#6@@H](-[#8]S([#8-])(=O)=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C24H42O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24(25)26)30-31(27,28)29;/h7-8,23H,2-6,9-20H2,1H3,(H,25,26)(H,27,28,29);/q;+1/p-1/b8-7-;/t23-;/m1./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibition of truncated recombinant MT1-MMP expressed in Escherichia coli JM109 after 1 hr by fluorescence assay |
J Nat Prod 66: 569-71 (2003)
Article DOI: 10.1021/np020572s
BindingDB Entry DOI: 10.7270/Q2WH2SSF |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50223421
(CHEMBL328885)Show SMILES [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C1CCCCCC[n+]2cccc(CCCCCC\C=C\CCCC[n+]3cccc(CCCCC1)c3)c2 |t:30| Show InChI InChI=1S/C34H54N2/c1-3-7-11-15-19-27-35-29-22-26-34(32-35)24-18-14-10-6-2-4-8-12-16-20-28-36-30-21-25-33(31-36)23-17-13-9-5-1/h3,7,21-22,25-26,29-32H,1-2,4-6,8-20,23-24,27-28H2/q+2/b7-3+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibitory activity against histone deacetylase (HDAC) |
Bioorg Med Chem Lett 14: 2617-20 (2004)
BindingDB Entry DOI: 10.7270/Q2N87D0W |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50223420
(CHEMBL89033)Show SMILES [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C1CCCCCC[n+]2cccc(CCCCCC\C=C\CCC[n+]3cccc(CCCCC1)c3)c2 |t:30| Show InChI InChI=1S/C33H52N2/c1-2-6-10-14-18-26-34-28-21-25-33(31-34)23-17-13-9-5-3-7-11-15-19-27-35-29-20-24-32(30-35)22-16-12-8-4-1/h7,11,20-21,24-25,28-31H,1-6,8-10,12-19,22-23,26-27H2/q+2/b11-7+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inhibitory activity against histone deacetylase (HDAC) |
Bioorg Med Chem Lett 14: 2617-20 (2004)
BindingDB Entry DOI: 10.7270/Q2N87D0W |
More data for this
Ligand-Target Pair | |
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