Found 128 hits with Last Name = 'carroll' and Initial = 'ar' 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 |
|---|
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50269766
(CHEMBL455257 | dysinosin B)Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8]-[#6@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:48| Show InChI InChI=1S/C31H52N6O15S/c1-14(2)23(35-28(44)22(49-3)13-50-53(46,47)48)29(45)37-17-10-20(51-30-26(42)25(41)24(40)21(12-38)52-30)19(39)9-16(17)8-18(37)27(43)34-6-4-15-5-7-36(11-15)31(32)33/h5,14,16-26,30,38-42H,4,6-13H2,1-3H3,(H6,32,33,34,35,43,44,46,47,48)/t16-,17+,18+,19+,20+,21-,22-,23+,24-,25+,26-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of factor 7a (unknown origin) by spectrophotometric assay |
J Nat Prod 67: 1291-4 (2004)
Article DOI: 10.1021/np049968p
BindingDB Entry DOI: 10.7270/Q2SX6D09 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50269776
(CHEMBL502639 | Dysinosin A)Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:37| Show InChI InChI=1S/C26H44N6O10S/c1-14(2)8-17(30-24(36)22(41-3)13-42-43(38,39)40)25(37)32-18-11-21(34)20(33)10-16(18)9-19(32)23(35)29-6-4-15-5-7-31(12-15)26(27)28/h5,14,16-22,33-34H,4,6-13H2,1-3H3,(H6,27,28,29,30,35,36,38,39,40)/t16-,17-,18+,19+,20+,21+,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of factor 7a (unknown origin) by spectrophotometric assay |
J Nat Prod 67: 1291-4 (2004)
Article DOI: 10.1021/np049968p
BindingDB Entry DOI: 10.7270/Q2SX6D09 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50269767
(CHEMBL508298 | dysinosin C)Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:36| Show InChI InChI=1S/C25H42N6O10S/c1-13(2)21(29-23(35)20(40-3)12-41-42(37,38)39)24(36)31-16-10-19(33)18(32)9-15(16)8-17(31)22(34)28-6-4-14-5-7-30(11-14)25(26)27/h5,13,15-21,32-33H,4,6-12H2,1-3H3,(H6,26,27,28,29,34,35,37,38,39)/t15-,16+,17+,18+,19+,20-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of factor 7a (unknown origin) by spectrophotometric assay |
J Nat Prod 67: 1291-4 (2004)
Article DOI: 10.1021/np049968p
BindingDB Entry DOI: 10.7270/Q2SX6D09 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50269766
(CHEMBL455257 | dysinosin B)Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8]-[#6@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:48| Show InChI InChI=1S/C31H52N6O15S/c1-14(2)23(35-28(44)22(49-3)13-50-53(46,47)48)29(45)37-17-10-20(51-30-26(42)25(41)24(40)21(12-38)52-30)19(39)9-16(17)8-18(37)27(43)34-6-4-15-5-7-36(11-15)31(32)33/h5,14,16-26,30,38-42H,4,6-13H2,1-3H3,(H6,32,33,34,35,43,44,46,47,48)/t16-,17+,18+,19+,20+,21-,22-,23+,24-,25+,26-,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by spectrophotometric assay |
J Nat Prod 67: 1291-4 (2004)
Article DOI: 10.1021/np049968p
BindingDB Entry DOI: 10.7270/Q2SX6D09 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50269776
(CHEMBL502639 | Dysinosin A)Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:37| Show InChI InChI=1S/C26H44N6O10S/c1-14(2)8-17(30-24(36)22(41-3)13-42-43(38,39)40)25(37)32-18-11-21(34)20(33)10-16(18)9-19(32)23(35)29-6-4-15-5-7-31(12-15)26(27)28/h5,14,16-22,33-34H,4,6-13H2,1-3H3,(H6,27,28,29,30,35,36,38,39,40)/t16-,17-,18+,19+,20+,21+,22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 452 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by spectrophotometric assay |
J Nat Prod 67: 1291-4 (2004)
Article DOI: 10.1021/np049968p
BindingDB Entry DOI: 10.7270/Q2SX6D09 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50269767
(CHEMBL508298 | dysinosin C)Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:36| Show InChI InChI=1S/C25H42N6O10S/c1-13(2)21(29-23(35)20(40-3)12-41-42(37,38)39)24(36)31-16-10-19(33)18(32)9-15(16)8-17(31)22(34)28-6-4-14-5-7-30(11-14)25(26)27/h5,13,15-21,32-33H,4,6-12H2,1-3H3,(H6,26,27,28,29,34,35,37,38,39)/t15-,16+,17+,18+,19+,20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by spectrophotometric assay |
J Nat Prod 67: 1291-4 (2004)
Article DOI: 10.1021/np049968p
BindingDB Entry DOI: 10.7270/Q2SX6D09 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50269768
(CHEMBL518066 | dysinosin D)Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:32| Show InChI InChI=1S/C25H42N6O7/c1-13(2)21(29-23(36)20(12-32)38-3)24(37)31-16-10-19(34)18(33)9-15(16)8-17(31)22(35)28-6-4-14-5-7-30(11-14)25(26)27/h5,13,15-21,32-34H,4,6-12H2,1-3H3,(H5,26,27,28,29,35,36)/p+1/t15-,16+,17+,18+,19+,20-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of factor 7a (unknown origin) by spectrophotometric assay |
J Nat Prod 67: 1291-4 (2004)
Article DOI: 10.1021/np049968p
BindingDB Entry DOI: 10.7270/Q2SX6D09 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50269768
(CHEMBL518066 | dysinosin D)Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:32| Show InChI InChI=1S/C25H42N6O7/c1-13(2)21(29-23(36)20(12-32)38-3)24(37)31-16-10-19(34)18(33)9-15(16)8-17(31)22(35)28-6-4-14-5-7-30(11-14)25(26)27/h5,13,15-21,32-34H,4,6-12H2,1-3H3,(H5,26,27,28,29,35,36)/p+1/t15-,16+,17+,18+,19+,20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by spectrophotometric assay |
J Nat Prod 67: 1291-4 (2004)
Article DOI: 10.1021/np049968p
BindingDB Entry DOI: 10.7270/Q2SX6D09 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50001683
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells |
J Nat Prod 69: 1295-9 (2006)
Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50001683
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cell membranes |
J Nat Prod 70: 872-5 (2007)
Article DOI: 10.1021/np060607e
BindingDB Entry DOI: 10.7270/Q24F1RJ0 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50001683
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cells |
J Nat Prod 70: 1946-50 (2007)
Article DOI: 10.1021/np070516x
BindingDB Entry DOI: 10.7270/Q23J3DSG |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50001683
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cell membrane |
J Nat Prod 70: 866-8 (2007)
Article DOI: 10.1021/np060577f
BindingDB Entry DOI: 10.7270/Q2NG4RFS |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50001683
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane |
J Nat Prod 73: 988-91 (2010)
Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cell membrane |
J Nat Prod 73: 988-91 (2010)
Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of glucocorticoid receptor-glucocorticoid complex transfected in rat R1 cells assessed as down-regulation of TPA-responsive element proinf... |
J Nat Prod 71: 1063-5 (2008)
Article DOI: 10.1021/np070655e
BindingDB Entry DOI: 10.7270/Q23J3DVC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50381677
(CHEMBL1256748 | U-69593)Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]naloxone from kappa opioid receptor expressed in HEK293 cell membrane |
J Nat Prod 73: 988-91 (2010)
Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH |
More data for this
Ligand-Target Pair | |
Thyrotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50072394
(1-[3-(1H-4-imidazolyl)-2-(5-oxotetrahydro-1H-2-pyr...)Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r| Show InChI InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1 | KEGG
UniProtKB/TrEMBL
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-methylhistidyl-TRH from rat recombinant TRHR2 expressed in HEK2935 cells |
J Nat Prod 71: 884-6 (2008)
Article DOI: 10.1021/np070658r
BindingDB Entry DOI: 10.7270/Q2MC8ZTC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM50059889
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1 | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of Pim2 kinase |
J Nat Prod 71: 451-2 (2008)
Article DOI: 10.1021/np070431w
BindingDB Entry DOI: 10.7270/Q25M66KR |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
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PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cells |
J Nat Prod 70: 1946-50 (2007)
Article DOI: 10.1021/np070516x
BindingDB Entry DOI: 10.7270/Q23J3DSG |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
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PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cell membranes |
J Nat Prod 70: 872-5 (2007)
Article DOI: 10.1021/np060607e
BindingDB Entry DOI: 10.7270/Q24F1RJ0 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
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PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cell membrane |
J Nat Prod 70: 866-8 (2007)
Article DOI: 10.1021/np060577f
BindingDB Entry DOI: 10.7270/Q2NG4RFS |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
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| DrugBank
Article
PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells |
J Nat Prod 69: 1295-9 (2006)
Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50059889
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged MAPKAPK2 assessed as [33P] incorporation after 40 mins by scintillation proximity assay |
J Nat Prod 72: 1699-701 (2009)
Article DOI: 10.1021/np900246t
BindingDB Entry DOI: 10.7270/Q2X0675D |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aspartate-semialdehyde dehydrogenase
(Helicobacter pylori) | BDBM50269414
(CHEMBL457665 | CYSTEINE-S-SULFONIC ACID | S-sulpho...)Show InChI InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 | KEGG
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of Helicobacter pylori His-tagged ASD assessed as inhibition of phosphorylation of aspartate semialdehyde |
J Nat Prod 68: 804-6 (2005)
Article DOI: 10.1021/np049595s
BindingDB Entry DOI: 10.7270/Q2TB17S3 |
More data for this
Ligand-Target Pair | |
Carboxypeptidase B
(Homo sapiens (Human)) | BDBM50233004
(2-(3-carbamimidamidopropylidene)butanedioic acid |...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]\[#6]=[#6](\[#6]-[#6](-[#8])=O)-[#6](-[#8])=O Show InChI InChI=1S/C8H13N3O4/c9-8(10)11-3-1-2-5(7(14)15)4-6(12)13/h2H,1,3-4H2,(H,12,13)(H,14,15)(H4,9,10,11)/b5-2- | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of carboxypeptidase B |
Bioorg Med Chem Lett 18: 1495-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.060
BindingDB Entry DOI: 10.7270/Q2GB23T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50316549
(CHEMBL1097805 | longanine)Show SMILES CO[C@H]1[C@@H](O)C[C@]23CCN(C)[C@@]22C[C@H](O[C@]12O)c1ccc(OC)c(O)c31 |r| Show InChI InChI=1S/C19H25NO6/c1-20-7-6-17-8-11(21)16(25-3)19(23)18(17,20)9-13(26-19)10-4-5-12(24-2)15(22)14(10)17/h4-5,11,13,16,21-23H,6-9H2,1-3H3/t11-,13-,16-,17-,18-,19+/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane |
J Nat Prod 73: 988-91 (2010)
Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50216277
(4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-di...)Show SMILES COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H24O4/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20-/m0/s1 | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay |
J Nat Prod 70: 1118-21 (2007)
Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50271071
((2,4-Dibromo-3-{[(4-carbamimidamidobutyl)carbamoyl...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-c1c(Br)cc(-[#8])c(-[#6]-[#6](-[#8])=O)c1Br Show InChI InChI=1S/C14H18Br2N4O5/c15-8-6-9(21)7(5-10(22)23)11(16)12(8)25-14(24)20-4-2-1-3-19-13(17)18/h6,21H,1-5H2,(H,20,24)(H,22,23)(H4,17,18,19) | PDB
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| Article
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of factor 11a (unknown origin) |
J Med Chem 51: 3583-7 (2008)
Article DOI: 10.1021/jm800314b
BindingDB Entry DOI: 10.7270/Q2PV6K50 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50269337
(CHEMBL497516 | Grandisine F)Show SMILES C[C@H]1C[C@H](N)CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:6| Show InChI InChI=1S/C16H24N2O2/c1-9-7-10(17)8-13-14(9)16(19)15-11-3-2-5-18(11)6-4-12(15)20-13/h9-12,15H,2-8,17H2,1H3/t9-,10-,11-,12+,15-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells |
J Nat Prod 69: 1295-9 (2006)
Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50269336
(grandisine D)Show SMILES C[C@H]1CC=CC(=O)[C@@H]1C(=O)C1=CCC[NH+]2CCC[C@@H]12 |r,c:3,t:11| Show InChI InChI=1S/C16H21NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,6,8,11,13,15H,3-5,7,9-10H2,1H3/p+1/t11-,13-,15+/m0/s1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells |
J Nat Prod 69: 1295-9 (2006)
Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50225276
(6-(3,3'-dihydroxy-4'-sulfooxy-biphenyl-4-yloxy)-2,...)Show SMILES OC(=O)c1cc2oc3c(Oc4ccc(cc4O)-c4ccc(OS(O)(=O)=O)c(O)c4)cc(O)cc3c2cc1O Show InChI InChI=1S/C25H16O12S/c26-13-7-15-14-9-17(27)16(25(30)31)10-22(14)36-24(15)23(8-13)35-20-3-1-11(5-18(20)28)12-2-4-21(19(29)6-12)37-38(32,33)34/h1-10,26-29H,(H,30,31)(H,32,33,34) | PDB
MMDB
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Reactome pathway
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
J Nat Prod 70: 1790-2 (2007)
Article DOI: 10.1021/np070225o
BindingDB Entry DOI: 10.7270/Q2DZ081R |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50225828
((2Z,2'Z)-N,N'-{butane-1,4-diylbis[(methylimino)pro...)Show SMILES COc1c(Br)cc(CC(N=O)C(=O)NCCCN(C)CCCCN(C)C(=O)CCCNC(=O)C(Cc2cc(Br)c(OC)c(Br)c2)N=O)cc1Br Show InChI InChI=1S/C33H44Br4N6O7/c1-42(13-8-11-39-33(46)28(41-48)20-22-17-25(36)31(50-4)26(37)18-22)12-5-6-14-43(2)29(44)9-7-10-38-32(45)27(40-47)19-21-15-23(34)30(49-3)24(35)16-21/h15-18,27-28H,5-14,19-20H2,1-4H3,(H,38,45)(H,39,46) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]SAM from Icmt relative to SAH |
Bioorg Med Chem Lett 17: 6860-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.021
BindingDB Entry DOI: 10.7270/Q2MG7P73 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50316551
(CHEMBL1096481 | N-methylstephuline)Show SMILES CO[C@H]1[C@@H](O)C[C@]23CCN(C)[C@@]22C[C@H](O[C@]12OC)c1ccc(OC)c(O)c31 |r| Show InChI InChI=1S/C20H27NO6/c1-21-8-7-18-9-12(22)17(25-3)20(26-4)19(18,21)10-14(27-20)11-5-6-13(24-2)16(23)15(11)18/h5-6,12,14,17,22-23H,7-10H2,1-4H3/t12-,14-,17-,18-,19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane |
J Nat Prod 73: 988-91 (2010)
Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50316546
(CHEMBL1097077 | N-methylstephisoferulin)Show SMILES COc1ccc2[C@@H]3C[C@]45N(C)CC[C@]4(C[C@H](OC(=O)\C=C\c4ccccc4)[C@H](O)[C@@]5(OC)O3)c2c1O |r| Show InChI InChI=1S/C28H31NO7/c1-29-14-13-26-15-21(35-22(30)12-9-17-7-5-4-6-8-17)25(32)28(34-3)27(26,29)16-20(36-28)18-10-11-19(33-2)24(31)23(18)26/h4-12,20-21,25,31-32H,13-16H2,1-3H3/b12-9+/t20-,21-,25-,26-,27-,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane |
J Nat Prod 73: 988-91 (2010)
Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50211219
(elaeocarpenine)Show SMILES Cc1cccc(O)c1C(=O)C1=CCC[NH+]2CCC[C@H]12 |t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/p+1/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cell membranes |
J Nat Prod 70: 872-5 (2007)
Article DOI: 10.1021/np060607e
BindingDB Entry DOI: 10.7270/Q24F1RJ0 |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50241599
(CHEMBL453012 | sideroxylonal A)Show SMILES CC(C)C[C@H]1[C@@H](C(C)C)[C@@H](Oc2c(C=O)c(O)c(C=O)c(O)c12)c1c(O)c(C=O)c(O)c(C=O)c1O |r| Show InChI InChI=1S/C26H28O10/c1-10(2)5-12-17(11(3)4)26(19-23(34)13(6-27)20(31)14(7-28)24(19)35)36-25-16(9-30)21(32)15(8-29)22(33)18(12)25/h6-12,17,26,31-35H,5H2,1-4H3/t12-,17+,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human PAI1 using tissue type plasminogen activator substrate by plasmon resonance |
J Nat Prod 62: 324-6 (1999)
Article DOI: 10.1021/np980286+
BindingDB Entry DOI: 10.7270/Q24Q7TRJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50225277
(2,8-dihydroxy-6-(3,3',4'-trihydroxy-biphenyl-4-ylo...)Show SMILES OC(=O)c1cc2oc3c(Oc4ccc(cc4O)-c4ccc(O)c(O)c4)cc(O)cc3c2cc1O Show InChI InChI=1S/C25H16O9/c26-13-7-15-14-9-18(28)16(25(31)32)10-22(14)34-24(15)23(8-13)33-21-4-2-12(6-20(21)30)11-1-3-17(27)19(29)5-11/h1-10,26-30H,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
J Nat Prod 70: 1790-2 (2007)
Article DOI: 10.1021/np070225o
BindingDB Entry DOI: 10.7270/Q2DZ081R |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50241601
(CHEMBL453538 | sideroxylonal C)Show SMILES CC(C)C[C@@H]1[C@@H](C(C)C)[C@@H](Oc2c(C=O)c(O)c(C=O)c(O)c12)c1c(O)c(C=O)c(O)c(C=O)c1O |r| Show InChI InChI=1S/C26H28O10/c1-10(2)5-12-17(11(3)4)26(19-23(34)13(6-27)20(31)14(7-28)24(19)35)36-25-16(9-30)21(32)15(8-29)22(33)18(12)25/h6-12,17,26,31-35H,5H2,1-4H3/t12-,17-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human PAI1 using tissue type plasminogen activator substrate by plasmon resonance |
J Nat Prod 62: 324-6 (1999)
Article DOI: 10.1021/np980286+
BindingDB Entry DOI: 10.7270/Q24Q7TRJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50316547
(6-cinnamoylhernandine | CHEMBL1097804)Show SMILES CO[C@H]1[C@H](C[C@]23CC(=O)N(C)[C@@]22C[C@H](O[C@]12OC)c1ccc(OC)c(O)c31)OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C29H31NO8/c1-30-22(31)16-27-14-21(37-23(32)13-10-17-8-6-5-7-9-17)26(35-3)29(36-4)28(27,30)15-20(38-29)18-11-12-19(34-2)25(33)24(18)27/h5-13,20-21,26,33H,14-16H2,1-4H3/b13-10+/t20-,21-,26-,27+,28-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane |
J Nat Prod 73: 988-91 (2010)
Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50241600
(CHEMBL509880 | sideroxylonal B)Show SMILES CC(C)C[C@H]1[C@H](C(C)C)[C@@H](Oc2c(C=O)c(O)c(C=O)c(O)c12)c1c(O)c(C=O)c(O)c(C=O)c1O |r| Show InChI InChI=1S/C26H28O10/c1-10(2)5-12-17(11(3)4)26(19-23(34)13(6-27)20(31)14(7-28)24(19)35)36-25-16(9-30)21(32)15(8-29)22(33)18(12)25/h6-12,17,26,31-35H,5H2,1-4H3/t12-,17-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human PAI1 using tissue type plasminogen activator substrate by plasmon resonance |
J Nat Prod 62: 324-6 (1999)
Article DOI: 10.1021/np980286+
BindingDB Entry DOI: 10.7270/Q24Q7TRJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50316552
(CHEMBL1096482 | prostephabyssine)Show SMILES COC1=CC[C@]23CCN(C)[C@@]22C[C@H](O[C@@]12O)c1ccc(OC)c(O)c31 |r,t:2| Show InChI InChI=1S/C19H23NO5/c1-20-9-8-17-7-6-14(24-3)19(22)18(17,20)10-13(25-19)11-4-5-12(23-2)16(21)15(11)17/h4-6,13,21-22H,7-10H2,1-3H3/t13-,17+,18-,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane |
J Nat Prod 73: 988-91 (2010)
Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50269357
((-)-isoelaeocarpiline | CHEMBL521711)Show SMILES C[C@H]1CC=CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:3,5| Show InChI InChI=1S/C16H21NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,6,10-11,13,15H,3-5,7-9H2,1H3/t10-,11-,13+,15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells |
J Nat Prod 69: 1295-9 (2006)
Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50316545
(6-cinnamoyl-N-methylstephasunoline | CHEMBL1098354)Show SMILES CO[C@H]1[C@H](C[C@]23CCN(C)[C@@]22C[C@H](O[C@]12OC)c1ccc(OC)c(O)c31)OC(=O)\C=C\c1ccc(OC)c(O)c1 |r| Show InChI InChI=1S/C30H35NO9/c1-31-13-12-28-15-23(39-24(33)11-7-17-6-9-20(35-2)19(32)14-17)27(37-4)30(38-5)29(28,31)16-22(40-30)18-8-10-21(36-3)26(34)25(18)28/h6-11,14,22-23,27,32,34H,12-13,15-16H2,1-5H3/b11-7+/t22-,23-,27-,28-,29-,30+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane |
J Nat Prod 73: 988-91 (2010)
Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50228176
(peripentadenine)Show SMILES CCCCCC(=O)NCCC[NH+]1CCCC1CC(=O)c1c(C)cccc1O Show InChI InChI=1S/C22H34N2O3/c1-3-4-5-12-21(27)23-13-8-15-24-14-7-10-18(24)16-20(26)22-17(2)9-6-11-19(22)25/h6,9,11,18,25H,3-5,7-8,10,12-16H2,1-2H3,(H,23,27)/p+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cells |
J Nat Prod 70: 1946-50 (2007)
Article DOI: 10.1021/np070516x
BindingDB Entry DOI: 10.7270/Q23J3DSG |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50216279
(CHEMBL388363 | di-O-methylendiandrin A)Show SMILES COc1ccc(cc1OC)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H28O4/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay |
J Nat Prod 70: 1118-21 (2007)
Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50211216
(isoelaeocarpine)Show SMILES Cc1cccc2O[C@H]3CC[NH+]4CCC[C@@H]4[C@H]3C(=O)c12 Show InChI InChI=1S/C16H19NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/p+1/t11-,13+,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cell membranes |
J Nat Prod 70: 872-5 (2007)
Article DOI: 10.1021/np060607e
BindingDB Entry DOI: 10.7270/Q24F1RJ0 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50479260
(APLYSAMINE 6)Show SMILES COc1ccc(\C=C\C(=O)NCCc2cc(Br)c(OCCCN)c(Br)c2)cc1Br Show InChI InChI=1S/C21H23Br3N2O3/c1-28-19-5-3-14(11-16(19)22)4-6-20(27)26-9-7-15-12-17(23)21(18(24)13-15)29-10-2-8-25/h3-6,11-13H,2,7-10,25H2,1H3,(H,26,27)/b6-4+ | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of Icmt using [3H]SAM as substrate |
J Nat Prod 71: 1066-7 (2008)
Article DOI: 10.1021/np0706623
BindingDB Entry DOI: 10.7270/Q2M0488M |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50269339
(CHEMBL509995 | Grandisine C)Show SMILES C[C@H]1C[C@H](O)CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:6| Show InChI InChI=1S/C16H23NO3/c1-9-7-10(18)8-13-14(9)16(19)15-11-3-2-5-17(11)6-4-12(15)20-13/h9-12,15,18H,2-8H2,1H3/t9-,10-,11-,12+,15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells |
J Nat Prod 69: 1295-9 (2006)
Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50316550
(CHEMBL1097185 | aknadilactam)Show SMILES COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CC(=O)N3C)CC1=O |r,c:2| Show InChI InChI=1S/C20H23NO6/c1-21-14(23)10-19-9-12(22)17(26-3)18(27-4)20(19,21)8-7-11-5-6-13(25-2)16(24)15(11)19/h5-6,24H,7-10H2,1-4H3/t19-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane |
J Nat Prod 73: 988-91 (2010)
Article DOI: 10.1021/np100009j
BindingDB Entry DOI: 10.7270/Q2FF3SHH |
More data for this
Ligand-Target Pair | |
Thyrotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50261174
(CHEMBL496930 | corymbone B)Show SMILES CC(C)CC(C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C)c(O)c(C(=O)CCc2ccccc2)c1O Show InChI InChI=1S/C31H38O7/c1-16(2)15-19(22-27(36)30(4,5)29(38)31(6,7)28(22)37)21-24(33)17(3)25(34)23(26(21)35)20(32)14-13-18-11-9-8-10-12-18/h8-12,16,19,22,33-35H,13-15H2,1-7H3 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-methylhistidyl-TRH from rat recombinant TRH2 receptor expressed in HEK2935 cells |
J Nat Prod 71: 881-3 (2008)
Article DOI: 10.1021/np0706567
BindingDB Entry DOI: 10.7270/Q2ZK5GFP |
More data for this
Ligand-Target Pair | |
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