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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50013476   
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
Translocator protein


(Homo sapiens (Human))
BDBM50541998
PNG
(CHEMBL4642592)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)
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508n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to TSPO (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50566377
PNG
(CHEMBL4848380)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
PDB

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520n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50566410
PNG
(CHEMBL4854018)
Show SMILES CN(C)C(=O)COC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C(C)=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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590n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to sigma 2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50566402
PNG
(CHEMBL4853466)
Show SMILES OCc1cc(no1)-c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
KEGG

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751n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to TSPO (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50566377
PNG
(CHEMBL4848380)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
PDB

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759n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to sigma 1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50541998
PNG
(CHEMBL4642592)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)
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860n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to beta3 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50566389
PNG
(CHEMBL4854060)
Show SMILES NC(=O)Cc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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931n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to sigma 2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50541998
PNG
(CHEMBL4642592)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)
PDB

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1.39E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50566377
PNG
(CHEMBL4848380)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
PDB

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1.44E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D5 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50566377
PNG
(CHEMBL4848380)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
PDB

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1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H4 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50541998
PNG
(CHEMBL4642592)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)
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1.75E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT1D (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50566384
PNG
(CHEMBL4872692)
Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(NC(=O)C2CCNCC2)cc1
PDB

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2.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DOR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50566404
PNG
(CHEMBL4877701)
Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)-c1nnn[nH]1
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2.26E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to sigma 2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50566384
PNG
(CHEMBL4872692)
Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(NC(=O)C2CCNCC2)cc1
PDB

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2.33E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to sigma 1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50541998
PNG
(CHEMBL4642592)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)
PDB

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UniChem
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2.34E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT5A (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50566402
PNG
(CHEMBL4853466)
Show SMILES OCc1cc(no1)-c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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2.65E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DOR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50566402
PNG
(CHEMBL4853466)
Show SMILES OCc1cc(no1)-c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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2.65E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50566377
PNG
(CHEMBL4848380)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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2.65E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to alpha1b (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50566405
PNG
(CHEMBL4864408)
Show SMILES OCc1cc(no1)-c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
PDB

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UniChem
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2.68E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to sigma 1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50566389
PNG
(CHEMBL4854060)
Show SMILES NC(=O)Cc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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UniChem
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2.81E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to TSPO (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50541998
PNG
(CHEMBL4642592)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)
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3.14E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to alpha1a (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50566404
PNG
(CHEMBL4877701)
Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)-c1nnn[nH]1
PDB

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3.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DOR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM50541998
PNG
(CHEMBL4642592)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)
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3.91E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT1E (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50566377
PNG
(CHEMBL4848380)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
PDB

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UniChem
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3.97E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to alpha2a (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50541998
PNG
(CHEMBL4642592)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)
PDB

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UniChem
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4.31E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to alpha2c (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50566405
PNG
(CHEMBL4864408)
Show SMILES OCc1cc(no1)-c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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4.63E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to TSPO (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50566405
PNG
(CHEMBL4864408)
Show SMILES OCc1cc(no1)-c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
UniProtKB/SwissProt

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UniChem
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PubMed
4.78E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to sigma 2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566405
PNG
(CHEMBL4864408)
Show SMILES OCc1cc(no1)-c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)
BDBM50566405
PNG
(CHEMBL4864408)
Show SMILES OCc1cc(no1)-c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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TBA

Assay Description
Inhibition of fluorescent antagonist binding to mouse P2Y14 receptor expressed in HEK293 cells preincubated with compound for 30 mins followed by flu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566377
PNG
(CHEMBL4848380)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)
BDBM50566384
PNG
(CHEMBL4872692)
Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(NC(=O)C2CCNCC2)cc1
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n/an/a 155n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to mouse P2Y14 receptor expressed in HEK293 cells preincubated with compound for 30 mins followed by flu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)
BDBM50566402
PNG
(CHEMBL4853466)
Show SMILES OCc1cc(no1)-c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 184n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to mouse P2Y14 receptor expressed in HEK293 cells preincubated with compound for 30 mins followed by flu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566384
PNG
(CHEMBL4872692)
Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(NC(=O)C2CCNCC2)cc1
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n/an/a 197n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566378
PNG
(CHEMBL4871298)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C(=O)C(F)(F)F)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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n/an/a 240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566391
PNG
(CHEMBL4868306)
Show SMILES NCCCc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 292n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566402
PNG
(CHEMBL4853466)
Show SMILES OCc1cc(no1)-c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 296n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566392
PNG
(CHEMBL4866107)
Show SMILES NCC#Cc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 308n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)
BDBM50566392
PNG
(CHEMBL4866107)
Show SMILES NCC#Cc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 375n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to mouse P2Y14 receptor expressed in HEK293 cells preincubated with compound for 30 mins followed by flu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566403
PNG
(CHEMBL4847409)
Show SMILES OCCc1cc(no1)-c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 389n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566387
PNG
(CHEMBL4869802)
Show SMILES NCCCNC(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 588n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566386
PNG
(CHEMBL4872737)
Show SMILES OC(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 632n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566381
PNG
(CHEMBL4853085)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 811n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566404
PNG
(CHEMBL4877701)
Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)-c1nnn[nH]1
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n/an/a 895n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566389
PNG
(CHEMBL4854060)
Show SMILES NC(=O)Cc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 1.29E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566380
PNG
(CHEMBL4877496)
Show SMILES Nc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 1.48E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566407
PNG
(CHEMBL4870627)
Show SMILES OC(=O)c1cc(cc(n1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C1CCNCC1
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n/an/a 1.69E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566382
PNG
(CHEMBL4851241)
Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(NC(=O)c2ccccc2)cc1
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n/an/a 1.86E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566398
PNG
(CHEMBL4857222)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566401
PNG
(CHEMBL4876369)
Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)-c1ccon1
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n/an/a 2.23E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50566400
PNG
(CHEMBL4868552)
Show SMILES OCC1(COC1)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 2.86E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluore...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP
More data for this
Ligand-Target Pair
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