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Compile Data Set for Download or QSAR

Found 1241 hits with Last Name = 'olsson' and Initial = 'r'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243536
PNG
(CHEMBL4062749)
PDB

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0.0100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243536
PNG
(CHEMBL4062749)
PDB

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0.0270n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.0300n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86187
PNG
(CAS_22189-31-7 | NSC_5454 | THIOTHIXENE)
Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|
Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3
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0.0300n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243589
PNG
(CHEMBL4095223)
PDB

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0.0620n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.0700n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)


Article DOI: 10.1007/bf00165806
BindingDB Entry DOI: 10.7270/Q26H4FXN
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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0.0800n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)


Article DOI: 10.1007/bf00165806
BindingDB Entry DOI: 10.7270/Q26H4FXN
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50062858
PNG
(8-Cyclopentyl-3-(2-fluoro-propyl)-1-propyl-3,7-dih...)
Show SMILES CCCn1c(=O)n(CC(C)F)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C16H23FN4O2/c1-3-8-20-15(22)12-14(21(16(20)23)9-10(2)17)19-13(18-12)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19)
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0.0940n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243608
PNG
(CHEMBL4100882)
PDB

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0.100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243589
PNG
(CHEMBL4095223)
PDB

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0.100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50252513
PNG
(3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
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0.100n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM84734
PNG
(CAS_129029-23-8 | NSC_71351 | Ocaperidone)
Show SMILES Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O
Show InChI InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243625
PNG
(CHEMBL4094098)
PDB

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0.100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243545
PNG
(CHEMBL4078689)
PDB

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0.100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243608
PNG
(CHEMBL4100882)
PDB

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0.100n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM81486
PNG
(CAS_1050-79-9 | MOPERONE | NSC_4249)
Show SMILES Cc1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3
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0.100n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243645
PNG
(CHEMBL4087520)
PDB

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0.110n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243626
PNG
(CHEMBL4089821)
PDB

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0.126n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243627
PNG
(CHEMBL4068708)
PDB

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0.126n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243645
PNG
(CHEMBL4087520)
PDB

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0.126n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243588
PNG
(CHEMBL4067800)
PDB

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0.126n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243625
PNG
(CHEMBL4094098)
PDB

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0.130n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243626
PNG
(CHEMBL4089821)
PDB

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0.140n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.155n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.155n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243588
PNG
(CHEMBL4067800)
PDB

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0.180n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50062852
PNG
(8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dih...)
Show SMILES CCCn1c(=O)n(CCCF)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)
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0.180n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
In vitro binding affinity for Adenosine A1 receptor of bovine cortex


J Med Chem 45: 5150-6 (2002)


BindingDB Entry DOI: 10.7270/Q21J993X
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50062852
PNG
(8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dih...)
Show SMILES CCCn1c(=O)n(CCCF)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)
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0.183n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243627
PNG
(CHEMBL4068708)
PDB

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0.190n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243609
PNG
(CHEMBL4090706)
PDB

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0.200n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243593
PNG
(CHEMBL4089947)
PDB

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0.200n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243561
PNG
(CHEMBL4086535)
PDB

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0.200n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM78434
PNG
(2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]p...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86723
PNG
(CAS_14759-06-9 | NSC_31765 | sulforidazine)
Show SMILES CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86187
PNG
(CAS_22189-31-7 | NSC_5454 | THIOTHIXENE)
Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|
Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM81493
PNG
(CAS_749-13-3 | TRIFLUORPERIDOL)
Show SMILES OC1(CCN(CC1)C(F)CCC(=O)c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F4NO2/c23-20(10-9-19(28)16-5-2-1-3-6-16)27-13-11-21(29,12-14-27)17-7-4-8-18(15-17)22(24,25)26/h1-8,15,20,29H,9-14H2
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM81484
PNG
(BROMPERIDOL | Bromoperidol | CAS_2448 | NSC_2448)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C21H23BrFNO2/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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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29098
PNG
(dibenzothiazepine, 12e)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1 |c:19|
Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)17-10-13-22-20(15-17)27-23(16-8-11-18(25)12-9-16)19-6-4-5-7-21(19)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)
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0.200 -54.8n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29100
PNG
(dibenzothiazepine, 12h)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(F)c(Cl)c1 |c:19|
Show InChI InChI=1S/C24H20ClFN2OS/c1-2-3-12-27-24(29)16-9-11-22-20(14-16)28-23(15-8-10-19(26)18(25)13-15)17-6-4-5-7-21(17)30-22/h4-11,13-14H,2-3,12H2,1H3,(H,27,29)
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0.200 -54.8n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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0.200n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)


Article DOI: 10.1007/bf00165806
BindingDB Entry DOI: 10.7270/Q26H4FXN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86722
PNG
(CAS_53772-82-0 | CAS_53772-85-3 | FLUPENTHIXOL, Al...)
Show SMILES OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8|
Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM26948
PNG
(8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM26948
PNG
(8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243593
PNG
(CHEMBL4089947)
PDB

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0.200n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, LACDR, Leiden University , 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
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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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
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