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Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'weiss' and Initial = 'b'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
D(4) dopamine receptor


(RAT)
BDBM50329410
PNG
(CHEMBL1270323 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C20H21FN4O2/c21-16-7-5-15(6-8-16)20(26)22-9-10-24-11-13-25(14-12-24)19-17-3-1-2-4-18(17)27-23-19/h1-8H,9-14H2,(H,22,26)
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0.340n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50370403
PNG
(CHEMBL177829)
Show SMILES O=C1NC(C(=O)N1CCCCCN1CCC(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H35N3O2/c35-29-31(27-15-7-2-8-16-27,28-17-9-3-10-18-28)32-30(36)34(29)22-12-4-11-21-33-23-19-26(20-24-33)25-13-5-1-6-14-25/h1-3,5-10,13-18,26H,4,11-12,19-24H2,(H,32,36)
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0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Sigma opioid receptor type 1 in guinea pig brain homogenate with 0.5 nM of [3H](+)-PENT as radioligand


J Med Chem 24: 496-9 (1981)


BindingDB Entry DOI: 10.7270/Q2K64JTV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50329412
PNG
(CHEMBL1270423 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N
Show InChI InChI=1S/C19H20FN5O/c20-17-5-3-15(4-6-17)19(26)23-8-9-24-10-12-25(13-11-24)18-16(14-21)2-1-7-22-18/h1-7H,8-13H2,(H,23,26)
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0.930n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50329407
PNG
(CHEMBL1270121 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N
Show InChI InChI=1S/C20H23N5O2/c1-27-18-6-2-4-16(14-18)20(26)23-8-9-24-10-12-25(13-11-24)19-17(15-21)5-3-7-22-19/h2-7,14H,8-13H2,1H3,(H,23,26)
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1.52n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50329408
PNG
(CHEMBL1270227 | N-[2-[4-(4-Chlorophenyl)piperazin-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClFN3O/c20-16-3-7-18(8-4-16)24-13-11-23(12-14-24)10-9-22-19(25)15-1-5-17(21)6-2-15/h1-8H,9-14H2,(H,22,25)
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1.76n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50329405
PNG
(CHEMBL1270013 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-27-17-6-4-5-16(15-17)21(26)22-9-10-24-11-13-25(14-12-24)20-18-7-2-3-8-19(18)28-23-20/h2-8,15H,9-14H2,1H3,(H,22,26)
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1.93n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50329409
PNG
(CHEMBL1270322 | N-[2-[4-(4-Methylphenyl)piperazin-...)
Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O/c1-16-2-8-19(9-3-16)24-14-12-23(13-15-24)11-10-22-20(25)17-4-6-18(21)7-5-17/h2-9H,10-15H2,1H3,(H,22,25)
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2.64n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50329413
PNG
(CHEMBL1270516 | N-[2-[4-(5-Chloropyridin-2-yl)pipe...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C18H20ClFN4O/c19-15-3-6-17(22-13-15)24-11-9-23(10-12-24)8-7-21-18(25)14-1-4-16(20)5-2-14/h1-6,13H,7-12H2,(H,21,25)
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2.92n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50370403
PNG
(CHEMBL177829)
Show SMILES O=C1NC(C(=O)N1CCCCCN1CCC(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H35N3O2/c35-29-31(27-15-7-2-8-16-27,28-17-9-3-10-18-28)32-30(36)34(29)22-12-4-11-21-33-23-19-26(20-24-33)25-13-5-1-6-14-25/h1-3,5-10,13-18,26H,4,11-12,19-24H2,(H,32,36)
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Sigma opioid receptor type 2 in guinea pig brain homogenate with 4 nM of [3H](+)-DTG as radioligand


J Med Chem 24: 496-9 (1981)


BindingDB Entry DOI: 10.7270/Q2K64JTV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50068366
PNG
(CHEMBL93403 | N-{2-[4-(4-Chloro-phenyl)-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)
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4.97n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50122028
PNG
(3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-b...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(C)cc1
Show InChI InChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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9.21n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50122044
PNG
(CHEMBL345111 | N-{2-[4-(5-Chloro-pyridin-2-yl)-pip...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C19H23ClN4O2/c1-26-17-4-2-3-15(13-17)19(25)21-7-8-23-9-11-24(12-10-23)18-6-5-16(20)14-22-18/h2-6,13-14H,7-12H2,1H3,(H,21,25)
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11.3n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50329411
PNG
(CHEMBL1270422 | N-[2-[4-(4-Cyanophenyl)piperazin-1...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H21FN4O/c21-18-5-3-17(4-6-18)20(26)23-9-10-24-11-13-25(14-12-24)19-7-1-16(15-22)2-8-19/h1-8H,9-14H2,(H,23,26)
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32.7n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/s1
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50n/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
D(4) dopamine receptor


(RAT)
BDBM50329406
PNG
(CHEMBL1270120 | N-[2-[4-(4-Cyanophenyl)piperazin-1...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H24N4O2/c1-27-20-4-2-3-18(15-20)21(26)23-9-10-24-11-13-25(14-12-24)19-7-5-17(16-22)6-8-19/h2-8,15H,9-14H2,1H3,(H,23,26)
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64.0n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
3-dehydroquinate synthase


(Escherichia coli (strain K12))
BDBM50028881
PNG
((1R,3S,4S)-1,4-Dihydroxy-3-phosphonomethyl-cyclohe...)
Show SMILES O[C@H]1CC[C@@](O)(C[C@@H]1CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C8H15O7P/c9-6-1-2-8(12,7(10)11)3-5(6)4-16(13,14)15/h5-6,9,12H,1-4H2,(H,10,11)(H2,13,14,15)/t5-,6+,8-/m1/s1
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220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory constant against 3-dehydroquinate synthase


J Med Chem 24: 496-9 (1981)


BindingDB Entry DOI: 10.7270/Q2K64JTV
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50409932
PNG
(CHEMBL178537)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C(C)(C)C=C
Show InChI InChI=1S/C27H39NO4/c1-7-26(3,4)22(18-17-20-14-10-9-11-15-20)32-25(31)21-16-12-13-19-28(21)24(30)23(29)27(5,6)8-2/h7,9-11,14-15,21-22H,1,8,12-13,16-19H2,2-6H3/t21-,22+/m0/s1
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12)


J Med Chem 24: 496-9 (1981)


BindingDB Entry DOI: 10.7270/Q2K64JTV
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM86750
PNG
(LY 302679 | LY-302679)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](C[S](=O)(=O)c3nnc[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H20N4O4S/c18-12(19)11-4-10-3-8(1-2-9(10)5-14-11)6-22(20,21)13-15-7-16-17-13/h7-11,14H,1-6H2,(H,18,19)(H,15,16,17)/t8-,9-,10+,11-/m0/s1
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820n/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 5


(Homo sapiens (Human))
BDBM86749
PNG
(LY 457691)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Nc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H22N6O2/c24-17(25)15-8-11-7-12(6-5-10(11)9-18-15)19-14-4-2-1-3-13(14)16-20-22-23-21-16/h1-4,10-12,15,18-19H,5-9H2,(H,24,25)(H,20,21,22,23)/t10-,11+,12-,15-/m0/s1
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1.55E+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 5


(Homo sapiens (Human))
BDBM86755
PNG
(LY 458545 | LY-458545)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Oc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H21N5O3/c23-17(24)14-8-11-7-12(6-5-10(11)9-18-14)25-15-4-2-1-3-13(15)16-19-21-22-20-16/h1-4,10-12,14,18H,5-9H2,(H,23,24)(H,19,20,21,22)/t10-,11+,12-,14-/m0/s1
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1.69E+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 5


(Homo sapiens (Human))
BDBM86752
PNG
(LY 294486 | LY-294486)
Show SMILES OC(=O)[C@@H]1C[C@H]2CC(COCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O3/c19-13(20)11-4-10-3-8(1-2-9(10)5-14-11)6-21-7-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8?,9-,10+,11-/m0/s1
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3.06E+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 2


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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3.20E+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 5


(Homo sapiens (Human))
BDBM86750
PNG
(LY 302679 | LY-302679)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](C[S](=O)(=O)c3nnc[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H20N4O4S/c18-12(19)11-4-10-3-8(1-2-9(10)5-14-11)6-22(20,21)13-15-7-16-17-13/h7-11,14H,1-6H2,(H,18,19)(H,15,16,17)/t8-,9-,10+,11-/m0/s1
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3.41E+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 5


(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 5


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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4.20E+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 2


(Homo sapiens (Human))
BDBM86749
PNG
(LY 457691)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Nc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H22N6O2/c24-17(25)15-8-11-7-12(6-5-10(11)9-18-15)19-14-4-2-1-3-13(14)16-20-22-23-21-16/h1-4,10-12,15,18-19H,5-9H2,(H,24,25)(H,20,21,22,23)/t10-,11+,12-,15-/m0/s1
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5.50E+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 5


(Homo sapiens (Human))
BDBM86756
PNG
(LY 467711 | LY-467711)
Show SMILES CCC(C)OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Oc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C21H29N5O3/c1-3-13(2)28-21(27)18-11-15-10-16(9-8-14(15)12-22-18)29-19-7-5-4-6-17(19)20-23-25-26-24-20/h4-7,13-16,18,22H,3,8-12H2,1-2H3,(H,23,24,25,26)/t13?,14-,15+,16-,18-/m0/s1
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7.40E+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 2


(Homo sapiens (Human))
BDBM86755
PNG
(LY 458545 | LY-458545)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Oc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H21N5O3/c23-17(24)14-8-11-7-12(6-5-10(11)9-18-14)25-15-4-2-1-3-13(15)16-19-21-22-20-16/h1-4,10-12,14,18H,5-9H2,(H,23,24)(H,19,20,21,22)/t10-,11+,12-,14-/m0/s1
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8.30E+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 3


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/s1
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8.90E+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 1


(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 1


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/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 2


(Homo sapiens (Human))
BDBM86752
PNG
(LY 294486 | LY-294486)
Show SMILES OC(=O)[C@@H]1C[C@H]2CC(COCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O3/c19-13(20)11-4-10-3-8(1-2-9(10)5-14-11)6-21-7-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8?,9-,10+,11-/m0/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 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
Glutamate receptor 2


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/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 2


(Homo sapiens (Human))
BDBM86756
PNG
(LY 467711 | LY-467711)
Show SMILES CCC(C)OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Oc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C21H29N5O3/c1-3-13(2)28-21(27)18-11-15-10-16(9-8-14(15)12-22-18)29-19-7-5-4-6-17(19)20-23-25-26-24-20/h4-7,13-16,18,22H,3,8-12H2,1-2H3,(H,23,24,25,26)/t13?,14-,15+,16-,18-/m0/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 2


(Homo sapiens (Human))
BDBM86753
PNG
(LY 525327 | LY-525327)
Show SMILES CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Nc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C23H34N6O2/c1-3-15(4-2)14-31-23(30)21-12-17-11-18(10-9-16(17)13-24-21)25-20-8-6-5-7-19(20)22-26-28-29-27-22/h5-8,15-18,21,24-25H,3-4,9-14H2,1-2H3,(H,26,27,28,29)/t16-,17+,18-,21-/m0/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 4


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/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 4


(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 4


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/s1
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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 5


(Homo sapiens (Human))
BDBM86753
PNG
(LY 525327 | LY-525327)
Show SMILES CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Nc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C23H34N6O2/c1-3-15(4-2)14-31-23(30)21-12-17-11-18(10-9-16(17)13-24-21)25-20-8-6-5-7-19(20)22-26-28-29-27-22/h5-8,15-18,21,24-25H,3-4,9-14H2,1-2H3,(H,26,27,28,29)/t16-,17+,18-,21-/m0/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 3


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/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 3


(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))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/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
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50370391
PNG
(CHEMBL175813)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2sccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H24N2O2S/c31-27(24-11-5-4-10-23(24)20-8-2-1-3-9-20)29-22-15-13-21(14-16-22)28(32)30-18-7-6-12-26-25(30)17-19-33-26/h1-5,8-11,13-17,19H,6-7,12,18H2,(H,29,31)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]AVP as radioligand in CHO cells


J Med Chem 24: 496-9 (1981)


BindingDB Entry DOI: 10.7270/Q2K64JTV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50370408
PNG
(CHEMBL177435)
Show SMILES CCCc1nc(c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H24N6O/c1-2-8-25-28-26(21-9-4-3-5-10-21)24(18-34)33(25)17-19-13-15-20(16-14-19)22-11-6-7-12-23(22)27-29-31-32-30-27/h3-7,9-16,18H,2,8,17H2,1H3,(H,29,30,31,32)
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n/an/a 6.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against angiotensin II AT-2 receptor


J Med Chem 24: 496-9 (1981)


BindingDB Entry DOI: 10.7270/Q2K64JTV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50370394
PNG
(CHEMBL368791)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc12
Show InChI InChI=1S/C30H29N3O2S/c1-32(2)26-13-8-19-33(27-18-20-36-28(26)27)30(35)22-14-16-23(17-15-22)31-29(34)25-12-7-6-11-24(25)21-9-4-3-5-10-21/h3-7,9-12,14-18,20,26H,8,13,19H2,1-2H3,(H,31,34)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as radioligand in rat adrenal medulla


J Med Chem 24: 496-9 (1981)


BindingDB Entry DOI: 10.7270/Q2K64JTV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50370404
PNG
(CHEMBL175930)
Show SMILES COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C29H26N2O3S/c1-34-26-19-21(30-28(32)23-12-6-5-11-22(23)20-9-3-2-4-10-20)14-15-24(26)29(33)31-17-8-7-13-27-25(31)16-18-35-27/h2-6,9-12,14-16,18-19H,7-8,13,17H2,1H3,(H,30,32)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as radioligand in rat adrenal medulla


J Med Chem 24: 496-9 (1981)


BindingDB Entry DOI: 10.7270/Q2K64JTV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50370404
PNG
(CHEMBL175930)
Show SMILES COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C29H26N2O3S/c1-34-26-19-21(30-28(32)23-12-6-5-11-22(23)20-9-3-2-4-10-20)14-15-24(26)29(33)31-17-8-7-13-27-25(31)16-18-35-27/h2-6,9-12,14-16,18-19H,7-8,13,17H2,1H3,(H,30,32)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]AVP as radioligand in CHO cells


J Med Chem 24: 496-9 (1981)


BindingDB Entry DOI: 10.7270/Q2K64JTV
More data for this
Ligand-Target Pair
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