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BDBM50168962 (3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-isoquinoline-3-carboxylic acid::6-(4-Carboxy-benzyl)-decahydro-isoquinoline-3-carboxylic acid::CHEMBL274226::LY 382884

SMILES: OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1

InChI Key: InChIKey=YVMADKYPKNLVGU-BVUBDWEXSA-N

Data: 11 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50168962   
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
Grik5


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 318: 772-81 (2006)


Article DOI: 10.1124/jpet.106.101428
BindingDB Entry DOI: 10.7270/Q2NP230D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bristol

Curated by PDSP Ki Database




Nature 402: 297-301 (1999)


Article DOI: 10.1038/46290
BindingDB Entry DOI: 10.7270/Q2ZK5F7K
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 318: 772-81 (2006)


Article DOI: 10.1124/jpet.106.101428
BindingDB Entry DOI: 10.7270/Q2NP230D
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 318: 772-81 (2006)


Article DOI: 10.1124/jpet.106.101428
BindingDB Entry DOI: 10.7270/Q2NP230D
More data for this
Ligand-Target Pair
GRIA4


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 318: 772-81 (2006)


Article DOI: 10.1124/jpet.106.101428
BindingDB Entry DOI: 10.7270/Q2NP230D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bristol

Curated by PDSP Ki Database




Nature 402: 297-301 (1999)


Article DOI: 10.1038/46290
BindingDB Entry DOI: 10.7270/Q2ZK5F7K
More data for this
Ligand-Target Pair
Glutamate-Kainate 7


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 318: 772-81 (2006)


Article DOI: 10.1124/jpet.106.101428
BindingDB Entry DOI: 10.7270/Q2NP230D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 318: 772-81 (2006)


Article DOI: 10.1124/jpet.106.101428
BindingDB Entry DOI: 10.7270/Q2NP230D
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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1.71E+4n/an/an/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Inhibition of [3H]-KA binding to iontropic glutamate receptor 5


J Med Chem 48: 4200-3 (2005)


Article DOI: 10.1021/jm0491952
BindingDB Entry DOI: 10.7270/Q2HQ3ZDM
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AMPA binding to human GluR2 receptors expressed in HEK 293 cells


J Med Chem 48: 4200-3 (2005)


Article DOI: 10.1021/jm0491952
BindingDB Entry DOI: 10.7270/Q2HQ3ZDM
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Inhibition of [3H]-KA binding to iontropic glutamate receptor 6


J Med Chem 48: 4200-3 (2005)


Article DOI: 10.1021/jm0491952
BindingDB Entry DOI: 10.7270/Q2HQ3ZDM
More data for this
Ligand-Target Pair