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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 189.1
BDBM81975
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Wt: 237.2
BDBM50001260
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Wt: 116.1
BDBM50038159
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Wt: 130.1
BDBM50038169
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Wt: 227.6
BDBM50214319
Wt: 239.6
BDBM50214345
Wt: 221.2
BDBM50344263
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Wt: 231.1
BDBM50170275
Wt: 211.6
BDBM50170226
Wt: 197.5
BDBM50170273
Wt: 116.1
BDBM50212605
Wt: 225.6
BDBM50214332
Wt: 213.5
BDBM50214330
Wt: 213.5
BDBM50214334
Wt: 232.0
BDBM50214336
Displayed 1 to 15 (of 104 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 51 hits in this display   
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
Glutamate-NMDA


(RAT)
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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8n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenatesin vitro was determined


J Med Chem 33: 1069-76 (1990)


Article DOI: 10.1021/jm00165a029
BindingDB Entry DOI: 10.7270/Q2J38T4C
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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9n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenates in vitro was determined


J Med Chem 33: 1069-76 (1990)


Article DOI: 10.1021/jm00165a029
BindingDB Entry DOI: 10.7270/Q2J38T4C
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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31n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenatesin vitro was determined


J Med Chem 33: 1069-76 (1990)


Article DOI: 10.1021/jm00165a029
BindingDB Entry DOI: 10.7270/Q2J38T4C
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50214336
PNG
(CHEMBL93164)
Show SMILES Oc1nc2cc(Cl)c(Cl)nc2nc1O
Show InChI InChI=1S/C7H3Cl2N3O2/c8-2-1-3-5(11-4(2)9)12-7(14)6(13)10-3/h1H,(H,10,13)(H,11,12,14)
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186n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50214319
PNG
(CHEMBL330190)
Show SMILES Cc1c(Cl)c[n+]([O-])c2nc(O)c(O)nc12
Show InChI InChI=1S/C8H6ClN3O3/c1-3-4(9)2-12(15)6-5(3)10-7(13)8(14)11-6/h2H,1H3,(H,10,13)(H,11,14)
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372n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50170275
PNG
(CHEMBL93837)
Show SMILES Oc1nc2cc(cnc2nc1O)C(F)(F)F
Show InChI InChI=1S/C8H4F3N3O2/c9-8(10,11)3-1-4-5(12-2-3)14-7(16)6(15)13-4/h1-2H,(H,13,15)(H,12,14,16)
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501n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50214330
PNG
(CHEMBL92456)
Show SMILES Oc1nc2cc(Cl)c[n+]([O-])c2nc1O
Show InChI InChI=1S/C7H4ClN3O3/c8-3-1-4-5(11(14)2-3)10-7(13)6(12)9-4/h1-2H,(H,9,12)(H,10,13)
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513n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50038169
PNG
((3R,4R)-3-Amino-1-hydroxy-4-methyl-pyrrolidin-2-on...)
Show SMILES C[C@@H]1CN(O)C(=O)[C@@H]1N
Show InChI InChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3/t3-,4-/m1/s1
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650n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of cortical neuron at NMDA receptor


J Med Chem 37: 4053-67 (1995)


Article DOI: 10.1021/jm00050a001
BindingDB Entry DOI: 10.7270/Q2JM28PT
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50214332
PNG
(CHEMBL93062)
Show SMILES Cc1nc2nc(O)c(O)nc2c(C)c1Cl
Show InChI InChI=1S/C9H8ClN3O2/c1-3-5(10)4(2)11-7-6(3)12-8(14)9(15)13-7/h1-2H3,(H,12,14)(H,11,13,15)
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813n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50214345
PNG
(CHEMBL96878)
Show SMILES CCCc1nc2nc(O)c(O)nc2cc1Cl
Show InChI InChI=1S/C10H10ClN3O2/c1-2-3-6-5(11)4-7-8(12-6)14-10(16)9(15)13-7/h4H,2-3H2,1H3,(H,13,15)(H,12,14,16)
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1.51E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50038159
PNG
((R)-3-Amino-1-hydroxy-pyrrolidin-2-one | CHEMBL335...)
Show SMILES N[C@@H]1CCN(O)C1=O
Show InChI InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2/t3-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of cortical neuron at NMDA receptor


J Med Chem 37: 4053-67 (1995)


Article DOI: 10.1021/jm00050a001
BindingDB Entry DOI: 10.7270/Q2JM28PT
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50170226
PNG
(CHEMBL92084)
Show SMILES Cc1c(Cl)cnc2nc(O)c(O)nc12
Show InChI InChI=1S/C8H6ClN3O2/c1-3-4(9)2-10-6-5(3)11-7(13)8(14)12-6/h2H,1H3,(H,11,13)(H,10,12,14)
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2.88E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50001260
PNG
(3-phenyl-4-hydroxyquinolin-2(1H)-one | 4-Hydroxy-3...)
Show SMILES Oc1c(-c2ccccc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-15(18)13(14)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18)
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4.50E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace strychnine-insensitive [3H]-glycine binding to rat cortical membranes.


J Med Chem 35: 3423-5 (1992)


Article DOI: 10.1021/jm00096a019
BindingDB Entry DOI: 10.7270/Q2RR1X68
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50214334
PNG
(CHEMBL92646)
Show SMILES Oc1nc2ccc(Cl)[n+]([O-])c2nc1O
Show InChI InChI=1S/C7H4ClN3O3/c8-4-2-1-3-5(11(4)14)10-7(13)6(12)9-3/h1-2H,(H,9,12)(H,10,13)
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4.68E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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5.40E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace strychnine-insensitive [3H]-glycine binding to rat cortical membranes.


J Med Chem 35: 3423-5 (1992)


Article DOI: 10.1021/jm00096a019
BindingDB Entry DOI: 10.7270/Q2RR1X68
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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5.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM


Bioorg Med Chem Lett 3: 81-84 (1993)


Article DOI: 10.1016/S0960-894X(00)80096-7
BindingDB Entry DOI: 10.7270/Q2MK6CTN
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50170273
PNG
(CHEMBL27648)
Show SMILES Oc1nc2ccc(Cl)nc2nc1O
Show InChI InChI=1S/C7H4ClN3O2/c8-4-2-1-3-5(10-4)11-7(13)6(12)9-3/h1-2H,(H,9,12)(H,10,11,13)
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6.17E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)


BindingDB Entry DOI: 10.7270/Q2Z036NF
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)


BindingDB Entry DOI: 10.7270/Q2Z036NF
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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1.37E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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1.30E+6n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Vesicular glutamate transporter (VGLUT)


J Med Chem 45: 2260-76 (2002)


Article DOI: 10.1021/jm010261z
BindingDB Entry DOI: 10.7270/Q2NK3FRR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Prolylcarboxypeptidase (PRCP)


(Homo sapiens (Human))
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



University of Illinois at Chicago 60607-7061

Curated by ChEMBL


Assay Description
Inhibition of [3H]-TCP binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum


J Med Chem 41: 468-77 (1998)


Article DOI: 10.1021/jm970059p
BindingDB Entry DOI: 10.7270/Q27W6CW7
More data for this
Ligand-Target Pair
Prolylcarboxypeptidase (PRCP)


(Homo sapiens (Human))
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



G. D. Searle& Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]1-[1-(2-thienyl) piperidine ([3H]TCP) binding to phencyclidine receptor


J Med Chem 32: 1242-8 (1989)


Article DOI: 10.1021/jm00126a016
BindingDB Entry DOI: 10.7270/Q2CR5TXJ
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at NR2A transfected in oocytes


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Sus scrofa (pig))
BDBM50170226
PNG
(CHEMBL92084)
Show SMILES Cc1c(Cl)cnc2nc(O)c(O)nc12
Show InChI InChI=1S/C8H6ClN3O2/c1-3-4(9)2-10-6-5(3)11-7(13)8(14)12-6/h2H,1H3,(H,11,13)(H,10,12,14)
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n/an/a 260n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate assessed as pyruvate production incubated for 5 mins by microplate reade...


Eur J Med Chem 117: 19-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.017
BindingDB Entry DOI: 10.7270/Q2V989ZS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50170226
PNG
(CHEMBL92084)
Show SMILES Cc1c(Cl)cnc2nc(O)c(O)nc12
Show InChI InChI=1S/C8H6ClN3O2/c1-3-4(9)2-10-6-5(3)11-7(13)8(14)12-6/h2H,1H3,(H,11,13)(H,10,12,14)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO using D-alanine as substrate assessed as pyruvate production incubated for 60 mins by microplate reader analysis


Eur J Med Chem 117: 19-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.017
BindingDB Entry DOI: 10.7270/Q2V989ZS
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50038169
PNG
((3R,4R)-3-Amino-1-hydroxy-4-methyl-pyrrolidin-2-on...)
Show SMILES C[C@@H]1CN(O)C(=O)[C@@H]1N
Show InChI InChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3/t3-,4-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-glycine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 71-76 (1993)


Article DOI: 10.1016/S0960-894X(00)80094-3
BindingDB Entry DOI: 10.7270/Q2RB74HX
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



G. D. Searle& Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-allylnormetazocine ([3H]NANM) binding to sigma receptor


J Med Chem 32: 1242-8 (1989)


Article DOI: 10.1021/jm00126a016
BindingDB Entry DOI: 10.7270/Q2CR5TXJ
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Illinois at Chicago 60607-7061

Curated by ChEMBL


Assay Description
Inhibition of [3H]NANM binding to sigma receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum


J Med Chem 41: 468-77 (1998)


Article DOI: 10.1021/jm970059p
BindingDB Entry DOI: 10.7270/Q27W6CW7
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50038169
PNG
((3R,4R)-3-Amino-1-hydroxy-4-methyl-pyrrolidin-2-on...)
Show SMILES C[C@@H]1CN(O)C(=O)[C@@H]1N
Show InChI InChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3/t3-,4-/m1/s1
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n/an/a 1.87E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound to inhibit [3H]-glycine binding to NMDA receptor


Bioorg Med Chem Lett 9: 1409-14 (1999)


Article DOI: 10.1016/s0960-894x(99)00194-8
BindingDB Entry DOI: 10.7270/Q2W0954Z
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50038169
PNG
((3R,4R)-3-Amino-1-hydroxy-4-methyl-pyrrolidin-2-on...)
Show SMILES C[C@@H]1CN(O)C(=O)[C@@H]1N
Show InChI InChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3/t3-,4-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-glycine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 71-76 (1993)


Article DOI: 10.1016/S0960-894X(00)80094-3
BindingDB Entry DOI: 10.7270/Q2RB74HX
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
BDBM50170226
PNG
(CHEMBL92084)
Show SMILES Cc1c(Cl)cnc2nc(O)c(O)nc12
Show InChI InChI=1S/C8H6ClN3O2/c1-3-4(9)2-10-6-5(3)11-7(13)8(14)12-6/h2H,1H3,(H,11,13)(H,10,12,14)
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n/an/a 4.16E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of rat spinal DAAO using D-alanine as substrate assessed as pyruvate production incubated for 60 mins by microplate reader analysis


Eur J Med Chem 117: 19-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.017
BindingDB Entry DOI: 10.7270/Q2V989ZS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of alpha7 nAChR (unknown origin)


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50001260
PNG
(3-phenyl-4-hydroxyquinolin-2(1H)-one | 4-Hydroxy-3...)
Show SMILES Oc1c(-c2ccccc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-15(18)13(14)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18)
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n/an/a 7.29E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MK-801 binding to a N-methyl-D-aspartic acid(NMDA) receptor in glycine-sensitive rat cortical membranes.


J Med Chem 35: 3423-5 (1992)


Article DOI: 10.1021/jm00096a019
BindingDB Entry DOI: 10.7270/Q2RR1X68
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]PIPAG to sigma receptor in Guinea pig brain membranes


J Med Chem 35: 4683-9 (1993)


Article DOI: 10.1021/jm00103a005
BindingDB Entry DOI: 10.7270/Q20865XT
More data for this
Ligand-Target Pair
Sigma opioid receptor


(HUMAN)
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]NANM of sigma receptor in Guinea pig brain membranes


J Med Chem 35: 4683-9 (1993)


Article DOI: 10.1021/jm00103a005
BindingDB Entry DOI: 10.7270/Q20865XT
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50038159
PNG
((R)-3-Amino-1-hydroxy-pyrrolidin-2-one | CHEMBL335...)
Show SMILES N[C@@H]1CCN(O)C1=O
Show InChI InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2/t3-/m1/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-glycine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 71-76 (1993)


Article DOI: 10.1016/S0960-894X(00)80094-3
BindingDB Entry DOI: 10.7270/Q2RB74HX
More data for this
Ligand-Target Pair
Fatty acid synthase


(Rattus norvegicus)
BDBM50001260
PNG
(3-phenyl-4-hydroxyquinolin-2(1H)-one | 4-Hydroxy-3...)
Show SMILES Oc1c(-c2ccccc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-15(18)13(14)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


Bioorg Med Chem Lett 16: 4620-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.014
BindingDB Entry DOI: 10.7270/Q2FX7927
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Sus scrofa (pig))
BDBM50170273
PNG
(CHEMBL27648)
Show SMILES Oc1nc2ccc(Cl)nc2nc1O
Show InChI InChI=1S/C7H4ClN3O2/c8-4-2-1-3-5(10-4)11-7(13)6(12)9-3/h1-2H,(H,9,12)(H,10,11,13)
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n/an/a 2.03E+4n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate assessed as pyruvate production incubated for 5 mins by microplate reade...


Eur J Med Chem 117: 19-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.017
BindingDB Entry DOI: 10.7270/Q2V989ZS
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Sus scrofa (pig))
BDBM50170275
PNG
(CHEMBL93837)
Show SMILES Oc1nc2cc(cnc2nc1O)C(F)(F)F
Show InChI InChI=1S/C8H4F3N3O2/c9-8(10,11)3-1-4-5(12-2-3)14-7(16)6(15)13-4/h1-2H,(H,13,15)(H,12,14,16)
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n/an/a 2.29E+4n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate assessed as pyruvate production incubated for 5 mins by microplate reade...


Eur J Med Chem 117: 19-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.017
BindingDB Entry DOI: 10.7270/Q2V989ZS
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50038159
PNG
((R)-3-Amino-1-hydroxy-pyrrolidin-2-one | CHEMBL335...)
Show SMILES N[C@@H]1CCN(O)C1=O
Show InChI InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2/t3-/m1/s1
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n/an/a 2.72E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-glycine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 71-76 (1993)


Article DOI: 10.1016/S0960-894X(00)80094-3
BindingDB Entry DOI: 10.7270/Q2RB74HX
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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n/an/a 4.02E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MK-801 binding to a N-methyl-D-aspartic acid(NMDA) receptor in glycine-sensitive rat cortical membranes.


J Med Chem 35: 3423-5 (1992)


Article DOI: 10.1021/jm00096a019
BindingDB Entry DOI: 10.7270/Q2RR1X68
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50212605
PNG
(CHEMBL351464)
Show SMILES NC1CCN(O)C1=O
Show InChI InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2
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n/an/a 3.39E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 71-76 (1993)


Article DOI: 10.1016/S0960-894X(00)80094-3
BindingDB Entry DOI: 10.7270/Q2RB74HX
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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n/an/an/an/a 300n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of AHR (unknown origin)


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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n/an/an/an/a 1.52E+5n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells by dynamic mass redistribution assay


Bioorg Med Chem Lett 22: 4148-52 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.057
BindingDB Entry DOI: 10.7270/Q2C53MW0
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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n/an/an/an/a>5.00E+5n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human U20S cells expressing beta-lactamase and Gal4-VP16 transcription factor assessed as beta arrestin translocation af...


Bioorg Med Chem Lett 22: 4148-52 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.057
BindingDB Entry DOI: 10.7270/Q2C53MW0
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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n/an/an/an/a 2.17E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporte...


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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n/an/an/an/a 1.52E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 by DMR assay


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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CHEMBL
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PubMed
n/an/an/an/a 3.92E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in CHO cells assessed as increase in intracellular Ca2+ measured over 20 secs by Aequorin assay


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
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