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Compile Data Set for Download or QSAR

Found 165 hits Enz. Inhib. hit(s) with all data for entry = 50006377   
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
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human beta2 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human beta2 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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n/an/a 200n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human beta1 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a 251n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human beta1 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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n/an/a 398n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by LC-MS analysis


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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n/an/a 501n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human beta2 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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n/an/a 631n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human beta1 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT1A receptor expressed in CHO-K1 cells assessed as seretonin-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by LC-MS analysis


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 by LC-MS analysis


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT1A receptor expressed in CHO-K1 cells assessed as seretonin-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type CCKA receptor expressed in CHO-K1 cells assessed as CCK8-induced calcium by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type M1 receptor expressed in CHO-K1 cells assessed as acetylcholine-induced calcium by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type A2A receptor expressed in CHO-K1 cells assessed as NECA-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type AGTR1 receptor expressed in CHO-K1 cells assessed as angiotensin-2-induced calcium by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type D2 receptor expressed in CHO-K1 cells assessed as dopamine-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type alpha 2A receptor expressed in CHO-K1 cells assessed as epinephrine-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type opioid-mu receptor expressed in CHO-K1 cells assessed as DAMGO-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type opioid-delta 1 receptor expressed in CHO-K1 cells assessed as DPDPE-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type M3 receptor expressed in CHO-K1 cells assessed as acetylcholine-induced calcium by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type A2A receptor expressed in CHO-K1 cells assessed as NECA-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type A3 receptor expressed in CHO-K1 cells assessed as IB MECA-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type AVPR1A receptor expressed in CHO-K1 cells assessed as vassopressin-induced calcium by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type M3 receptor expressed in CHO-K1 cells assessed as acetylcholine-induced calcium by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type M2 receptor expressed in CHO-K1 cells assessed as acetylcholine-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type D1 receptor expressed in CHO cells assessed as dopamine-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type ETA receptor expressed in CHO-K1 cells assessed as endothelin-1-induced calcium by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type opioid-kappa 1 receptor expressed in CHO-K1 cells assessed as U50488-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT1A receptor expressed in CHO-K1 cells assessed as seretonin-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT1B receptor expressed in CHO-K1 cells assessed as seretonin-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT1B receptor expressed in CHO-K1 cells assessed as seretonin-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT1B receptor expressed in CHO-K1 cells assessed as seretonin-induced cAMP level by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2A receptor expressed in CHO-K1 cells assessed as seretonin-induced calcium level by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2A receptor expressed in CHO-K1 cells assessed as seretonin-induced calcium level by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2B receptor expressed in CHO-K1 cells assessed as seretonin-induced calcium level by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2C receptor expressed in CHO-K1 cells assessed as seretonin-induced calcium level by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT6 receptor expressed in 1321N1 cells assessed as seretonin-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type 5-HT7 receptor expressed in HEK cells assessed as seretonin-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type A2A receptor expressed in CHO-K1 cells assessed as NECA-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by LC-MS analysis


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type A3 receptor expressed in CHO-K1 cells assessed as IB MECA-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type A3 receptor expressed in CHO-K1 cells assessed as IB MECA-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type alpha 1A receptor expressed in CHO cells assessed as EP-induced calcium by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type alpha 1A receptor expressed in CHO cells assessed as EP-induced calcium by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type alpha 2C receptor expressed in CHO-K1 cells assessed as epinephrine-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type alpha 2C receptor expressed in CHO-K1 cells assessed as epinephrine-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50499311
PNG
(CHEMBL3736156)
Show SMILES CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-12-13(16-15)5-4-6-14(12)19-10-11(18)9-17(2)3/h4-8,11,16,18H,9-10H2,1-3H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type alpha 2C receptor expressed in CHO-K1 cells assessed as epinephrine-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type CCKA receptor expressed in CHO-K1 cells assessed as CCK8-induced calcium by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50499310
PNG
(CHEMBL3736433)
Show SMILES CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
Show InChI InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type M3 receptor expressed in CHO-K1 cells assessed as acetylcholine-induced calcium by FDSS assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a<5.01E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human wild-type M2 receptor expressed in CHO-K1 cells assessed as acetylcholine-induced cAMP by HTRF assay


J Med Chem 58: 9287-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01088
BindingDB Entry DOI: 10.7270/Q21C20VP
More data for this
Ligand-Target Pair
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