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Compile Data Set for Download or QSAR

Found 1273 hits with Last Name = 'högberg' and Initial = 't'   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007522
PNG
(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
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0.0180n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368060
PNG
(CHEMBL1907695)
Show SMILES CCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O
Show InChI InChI=1S/C19H30N2O4/c1-5-8-13-11-15(24-3)18(25-4)16(17(13)22)19(23)20-12-14-9-7-10-21(14)6-2/h11,14,22H,5-10,12H2,1-4H3,(H,20,23)/t14-/m0/s1
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0.0230n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007508
PNG
((R) N-(1-Benzyl-pyrrolidin-2-ylmethyl)-5-bromo-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1OC
Show InChI InChI=1S/C21H25BrN2O3/c1-26-19-12-16(22)11-18(20(19)27-2)21(25)23-13-17-9-6-10-24(17)14-15-7-4-3-5-8-15/h3-5,7-8,11-12,17H,6,9-10,13-14H2,1-2H3,(H,23,25)/t17-/m1/s1
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0.0240n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368067
PNG
(CHEMBL1907702)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(OC)c1OC
Show InChI InChI=1S/C18H28N2O4/c1-5-12-10-14(23-3)17(24-4)15(16(12)21)18(22)19-11-13-8-7-9-20(13)6-2/h10,13,21H,5-9,11H2,1-4H3,(H,19,22)/t13-/m0/s1
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0.0330n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007517
PNG
((S)-3-bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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0.0640n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007517
PNG
((S)-3-bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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0.0640n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368065
PNG
(CHEMBL1907692)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(OC)c1OC
Show InChI InChI=1S/C16H23ClN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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0.0870n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007509
PNG
(3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C16H22Cl2N2O3/c1-4-20-7-5-6-10(20)9-19-16(21)13-14(22-2)11(17)8-12(18)15(13)23-3/h8,10H,4-7,9H2,1-3H3,(H,19,21)/t10-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007510
PNG
((R) 3-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-yl...)
Show SMILES COc1cc(Br)c(O)c(C(=O)NC[C@H]2CCCN2Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C21H24BrFN2O4/c1-28-17-10-16(22)19(26)18(20(17)29-2)21(27)24-11-15-4-3-9-25(15)12-13-5-7-14(23)8-6-13/h5-8,10,15,26H,3-4,9,11-12H2,1-2H3,(H,24,27)/t15-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.330n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007524
PNG
((R) 3-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-yl...)
Show SMILES COc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccc(F)cc1
Show InChI InChI=1S/C20H22BrFN2O3/c1-27-17-9-8-16(21)19(25)18(17)20(26)23-11-15-3-2-10-24(15)12-13-4-6-14(22)7-5-13/h4-9,15,25H,2-3,10-12H2,1H3,(H,23,26)/t15-/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010724
PNG
(CHEMBL305916 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-6...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)ccc(OC)c1OC
Show InChI InChI=1S/C16H24N2O4/c1-4-18-9-5-6-11(18)10-17-16(20)14-12(19)7-8-13(21-2)15(14)22-3/h7-8,11,19H,4-6,9-10H2,1-3H3,(H,17,20)/t11-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50453039
PNG
(CHEMBL2096749)
Show SMILES COc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C20H23BrN2O3/c1-26-17-10-9-16(21)19(24)18(17)20(25)22-12-15-8-5-11-23(15)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,15,24H,5,8,11-13H2,1H3,(H,22,25)/t15-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368062
PNG
(CHEMBL1907915)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM81774
PNG
(CAS_15676-16-1 | SULPIRIDE,(+) | Sulpiride-S | Sul...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368073
PNG
(CHEMBL1907690)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(OC)cc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)12(22-2)8-11(17)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 0.0120n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312907
PNG
(2-(4-(4-chlorophenyl)-2-(diphenylamino)thiazol-5-y...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17ClN2O2S/c24-17-13-11-16(12-14-17)22-20(15-21(27)28)29-23(25-22)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)
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n/an/a 0.0720n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312909
PNG
(2-(2-(diphenylamino)-4-(3-fluorophenyl)thiazol-5-y...)
Show SMILES OC(=O)Cc1sc(nc1-c1cccc(F)c1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17FN2O2S/c24-17-9-7-8-16(14-17)22-20(15-21(27)28)29-23(25-22)26(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2,(H,27,28)
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n/an/a 0.0790n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312915
PNG
(2-(2-(1,1-diphenylethyl)-4-(4-fluorophenyl)thiazol...)
Show SMILES CC(c1nc(c(CC(O)=O)s1)-c1ccc(F)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20FNO2S/c1-25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)24-27-23(21(30-24)16-22(28)29)17-12-14-20(26)15-13-17/h2-15H,16H2,1H3,(H,28,29)
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n/an/a 0.0850n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312908
PNG
(2-(2-(diphenylamino)-4-(4-fluorophenyl)thiazol-5-y...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17FN2O2S/c24-17-13-11-16(12-14-17)22-20(15-21(27)28)29-23(25-22)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)
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n/an/a 0.0980n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306222
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(4-f...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(O)(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H25Cl2FN4O3/c30-20-9-5-18(6-10-20)27-22(17-25(33)37)26(34-36(27)24-4-2-1-3-23(24)31)28(38)35-15-13-29(39,14-16-35)19-7-11-21(32)12-8-19/h1-12,39H,13-17H2,(H2,33,37)
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n/an/a 0.100n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306235
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-hydr...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C29H26Cl2N4O3/c30-21-12-10-19(11-13-21)27-22(18-25(32)36)26(33-35(27)24-9-5-4-8-23(24)31)28(37)34-16-14-29(38,15-17-34)20-6-2-1-3-7-20/h1-13,38H,14-18H2,(H2,32,36)
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n/an/a 0.110n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306234
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-cyan...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)(C#N)c1ccccc1
Show InChI InChI=1S/C30H25Cl2N5O2/c31-22-12-10-20(11-13-22)28-23(18-26(34)38)27(35-37(28)25-9-5-4-8-24(25)32)29(39)36-16-14-30(19-33,15-17-36)21-6-2-1-3-7-21/h1-13H,14-18H2,(H2,34,38)
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n/an/a 0.110n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306222
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(4-f...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(O)(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H25Cl2FN4O3/c30-20-9-5-18(6-10-20)27-22(17-25(33)37)26(34-36(27)24-4-2-1-3-23(24)31)28(38)35-15-13-29(39,14-16-35)19-7-11-21(32)12-8-19/h1-12,39H,13-17H2,(H2,33,37)
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n/an/a 0.190n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50172414
PNG
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)
Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)
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n/an/a 0.200n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1B receptor


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312917
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)COc1sc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H16F3NO3S/c25-17-8-4-14(5-9-17)21(15-6-10-18(26)11-7-15)23-28-22(16-2-1-3-19(27)12-16)24(32-23)31-13-20(29)30/h1-12,21H,13H2,(H,29,30)
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n/an/a 0.200n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305440
PNG
(2-(3-(5-bromoisoindoline-2-carbonyl)-1-(2-chloroph...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)N1Cc2ccc(Br)cc2C1
Show InChI InChI=1S/C26H17BrCl2N4O/c27-19-8-5-17-14-32(15-18(17)13-19)26(34)24-21(11-12-30)25(16-6-9-20(28)10-7-16)33(31-24)23-4-2-1-3-22(23)29/h1-10,13H,11,14-15H2
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n/an/a 0.220n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306234
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-cyan...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)(C#N)c1ccccc1
Show InChI InChI=1S/C30H25Cl2N5O2/c31-22-12-10-20(11-13-22)28-23(18-26(34)38)27(35-37(28)25-9-5-4-8-24(25)32)29(39)36-16-14-30(19-33,15-17-36)21-6-2-1-3-7-21/h1-13H,14-18H2,(H2,34,38)
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n/an/a 0.230n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312910
PNG
(2-(2-(bis(4-fluorophenyl)amino)-4-(4-fluorophenyl)...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)N(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H15F3N2O2S/c24-15-3-1-14(2-4-15)22-20(13-21(29)30)31-23(27-22)28(18-9-5-16(25)6-10-18)19-11-7-17(26)8-12-19/h1-12H,13H2,(H,29,30)
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n/an/a 0.240n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312911
PNG
(2-(2-(bis(4-methoxyphenyl)amino)-4-(3-fluorophenyl...)
Show SMILES COc1ccc(cc1)N(c1nc(c(CC(O)=O)s1)-c1cccc(F)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C25H21FN2O4S/c1-31-20-10-6-18(7-11-20)28(19-8-12-21(32-2)13-9-19)25-27-24(22(33-25)15-23(29)30)16-4-3-5-17(26)14-16/h3-14H,15H2,1-2H3,(H,29,30)
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n/an/a 0.260n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306235
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-hydr...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C29H26Cl2N4O3/c30-21-12-10-19(11-13-21)27-22(18-25(32)36)26(33-35(27)24-9-5-4-8-23(24)31)28(37)34-16-14-29(38,15-17-34)20-6-2-1-3-7-20/h1-13,38H,14-18H2,(H2,32,36)
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n/an/a 0.260n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306225
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyr...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)c1ncccn1
Show InChI InChI=1S/C27H24Cl2N6O2/c28-19-8-6-17(7-9-19)25-20(16-23(30)36)24(33-35(25)22-5-2-1-4-21(22)29)27(37)34-14-10-18(11-15-34)26-31-12-3-13-32-26/h1-9,12-13,18H,10-11,14-16H2,(H2,30,36)
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n/an/a 0.300n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306232
PNG
(4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NCC1CCN(CC1)C#N
Show InChI InChI=1S/C25H24Cl2N6O2/c26-18-7-5-17(6-8-18)24-19(13-22(29)34)23(31-33(24)21-4-2-1-3-20(21)27)25(35)30-14-16-9-11-32(15-28)12-10-16/h1-8,16H,9-14H2,(H2,29,34)(H,30,35)
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n/an/a 0.340n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in COS7 cells


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007527
PNG
(CHEMBL172536 | N-(1-Benzyl-piperidin-4-yl)-3-bromo...)
Show SMILES COc1cc(Br)c(O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H25BrN2O4/c1-27-17-12-16(22)19(25)18(20(17)28-2)21(26)23-15-8-10-24(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15,25H,8-11,13H2,1-2H3,(H,23,26)
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n/an/a 0.360n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306215
PNG
(4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-c...)
Show SMILES NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H24Cl2N6O/c24-16-10-8-15(9-11-16)22-17(14-20(26)27)21(23(32)29-30-12-4-1-5-13-30)28-31(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H3,26,27)(H,29,32)
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n/an/a 0.400n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305415
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanometh...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C27H20Cl2N4O/c28-19-12-9-18(10-13-19)26-21(15-16-30)25(32-33(26)24-8-4-3-7-22(24)29)27(34)31-23-14-11-17-5-1-2-6-20(17)23/h1-10,12-13,23H,11,14-15H2,(H,31,34)
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n/an/a 0.410n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312913
PNG
(2-(2-((4-cyanophenyl)(phenyl)amino)-4-(4-fluorophe...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)N(c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H16FN3O2S/c25-18-10-8-17(9-11-18)23-21(14-22(29)30)31-24(27-23)28(19-4-2-1-3-5-19)20-12-6-16(15-26)7-13-20/h1-13H,14H2,(H,29,30)
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n/an/a 0.460n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50309317
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(2-fluoropyridi...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccnc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H15F3N2O2S/c24-16-5-1-13(2-6-16)21(14-3-7-17(25)8-4-14)23-28-22(18(31-23)12-20(29)30)15-9-10-27-19(26)11-15/h1-11,21H,12H2,(H,29,30)
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n/an/a 0.480n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305422
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanometh...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C25H24Cl2N4O/c26-18-13-11-17(12-14-18)24-20(15-16-28)23(25(32)29-19-7-3-1-2-4-8-19)30-31(24)22-10-6-5-9-21(22)27/h5-6,9-14,19H,1-4,7-8,15H2,(H,29,32)
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n/an/a 0.490n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306232
PNG
(4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NCC1CCN(CC1)C#N
Show InChI InChI=1S/C25H24Cl2N6O2/c26-18-7-5-17(6-8-18)24-19(13-22(29)34)23(31-33(24)21-4-2-1-3-20(21)27)25(35)30-14-16-9-11-32(15-28)12-10-16/h1-8,16H,9-14H2,(H2,29,34)(H,30,35)
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n/an/a 0.490n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306220
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(2-f...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)c1ccccc1F
Show InChI InChI=1S/C29H25Cl2FN4O2/c30-20-11-9-19(10-12-20)28-22(17-26(33)37)27(34-36(28)25-8-4-2-6-23(25)31)29(38)35-15-13-18(14-16-35)21-5-1-3-7-24(21)32/h1-12,18H,13-17H2,(H2,33,37)
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n/an/a 0.510n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305403
PNG
(CHEMBL607031 | N-(4-bromo-2-fluorobenzyl)-1-(2-chl...)
Show SMILES Fc1cc(Br)ccc1CNC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C25H16BrCl2FN4O/c26-17-8-5-16(21(29)13-17)14-31-25(34)23-19(11-12-30)24(15-6-9-18(27)10-7-15)33(32-23)22-4-2-1-3-20(22)28/h1-10,13H,11,14H2,(H,31,34)
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n/an/a 0.510n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305423
PNG
(CHEMBL606242 | N-(azepan-1-yl)-1-(2-chlorophenyl)-...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C24H23Cl2N5O/c25-18-11-9-17(10-12-18)23-19(13-14-27)22(24(32)29-30-15-5-1-2-6-16-30)28-31(23)21-8-4-3-7-20(21)26/h3-4,7-12H,1-2,5-6,13,15-16H2,(H,29,32)
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n/an/a 0.520n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306221
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(2-f...)
Show SMILES ONC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)c1ccccc1F
Show InChI InChI=1S/C29H26Cl2FN5O2/c30-20-11-9-19(10-12-20)28-22(17-26(33)35-39)27(34-37(28)25-8-4-2-6-23(25)31)29(38)36-15-13-18(14-16-36)21-5-1-3-7-24(21)32/h1-12,18,39H,13-17H2,(H2,33,35)
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n/an/a 0.540n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
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