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PubMed code 28182408

Compile data set for download or QSAR
Found 126 hits of Enzyme Inhibition Constant Data   
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236331
PNG
(CHEMBL4091498)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-23-6-2-7-24(25(23)29)33-16-14-32(15-17-33)13-3-12-31-27(35)36-22-10-8-19(9-11-22)20-4-1-5-21(18-20)26(30)34/h1-2,4-11,18H,3,12-17H2,(H2,30,34)(H,31,35)
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n/an/a 0.5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236330
PNG
(CHEMBL4070196)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-23-9-3-10-24(25(23)29)33-15-13-32(14-16-33)12-4-11-31-27(35)36-22-8-2-6-20(18-22)19-5-1-7-21(17-19)26(30)34/h1-3,5-10,17-18H,4,11-16H2,(H2,30,34)(H,31,35)
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n/an/a 0.600n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236333
PNG
(CHEMBL4092052)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C28H30Cl2N4O3/c29-24-7-4-8-25(26(24)30)34-17-15-33(16-18-34)14-2-1-13-32-28(36)37-23-11-9-20(10-12-23)21-5-3-6-22(19-21)27(31)35/h3-12,19H,1-2,13-18H2,(H2,31,35)(H,32,36)
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n/an/a 0.600n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236343
PNG
(CHEMBL4086944)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1F
Show InChI InChI=1S/C28H27Cl2FN4O3/c29-23-7-4-8-25(26(23)30)35-15-13-34(14-16-35)12-2-1-11-33-28(37)38-21-9-10-22(24(31)18-21)19-5-3-6-20(17-19)27(32)36/h1-10,17-18H,11-16H2,(H2,32,36)(H,33,37)/b2-1+
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n/an/a 0.600n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236345
PNG
(CHEMBL4079093)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCNC(=O)Oc3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O2/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)34-23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14H,4-5,15-20H2,(H,30,33)
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n/an/a 0.900n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236340
PNG
(CHEMBL4069565)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1F
Show InChI InChI=1S/C28H29Cl2FN4O3/c29-23-7-4-8-25(26(23)30)35-15-13-34(14-16-35)12-2-1-11-33-28(37)38-21-9-10-22(24(31)18-21)19-5-3-6-20(17-19)27(32)36/h3-10,17-18H,1-2,11-16H2,(H2,32,36)(H,33,37)
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n/an/a 1n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236326
PNG
(CHEMBL4073966)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C28H32N4O3/c29-27(33)24-10-6-8-22(20-24)23-9-7-13-26(21-23)35-28(34)30-14-4-5-15-31-16-18-32(19-17-31)25-11-2-1-3-12-25/h1-3,6-13,20-21H,4-5,14-19H2,(H2,29,33)(H,30,34)
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n/an/a 1.10n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236342
PNG
(CHEMBL4065510)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C28H28Cl2N4O3/c29-24-7-4-8-25(26(24)30)34-17-15-33(16-18-34)14-2-1-13-32-28(36)37-23-11-9-20(10-12-23)21-5-3-6-22(19-21)27(31)35/h1-12,19H,13-18H2,(H2,31,35)(H,32,36)/b2-1+
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n/an/a 1.20n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236327
PNG
(CHEMBL4100735)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C27H30N4O3/c28-26(32)23-9-4-7-21(19-23)22-8-5-12-25(20-22)34-27(33)29-13-6-14-30-15-17-31(18-16-30)24-10-2-1-3-11-24/h1-5,7-12,19-20H,6,13-18H2,(H2,28,32)(H,29,33)
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n/an/a 1.30n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236334
PNG
(CHEMBL4071240)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C28H30Cl2N4O3/c29-24-10-5-11-25(26(24)30)34-16-14-33(15-17-34)13-2-1-12-32-28(36)37-23-9-4-7-21(19-23)20-6-3-8-22(18-20)27(31)35/h3-11,18-19H,1-2,12-17H2,(H2,31,35)(H,32,36)
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n/an/a 1.60n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236329
PNG
(CHEMBL4081780)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C28H32N4O4/c1-35-26-12-3-2-11-25(26)32-17-15-31(16-18-32)14-6-13-30-28(34)36-24-10-5-8-22(20-24)21-7-4-9-23(19-21)27(29)33/h2-5,7-12,19-20H,6,13-18H2,1H3,(H2,29,33)(H,30,34)
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n/an/a 1.80n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236328
PNG
(CHEMBL4099798)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)
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n/an/a 2.30n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236356
PNG
(CHEMBL4095588)
Show SMILES Cl.COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H31N3O3/c1-32-26-11-6-5-10-25(26)30-20-18-29(19-21-30)17-7-16-28-27(31)33-24-14-12-23(13-15-24)22-8-3-2-4-9-22/h2-6,8-15H,7,16-21H2,1H3,(H,28,31)
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n/an/a 2.60n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236357
PNG
(CHEMBL4078351)
Show SMILES COc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C29H32Cl2N4O4/c1-38-26-19-22(10-11-23(26)20-6-4-7-21(18-20)28(32)36)39-29(37)33-12-2-3-13-34-14-16-35(17-15-34)25-9-5-8-24(30)27(25)31/h4-11,18-19H,2-3,12-17H2,1H3,(H2,32,36)(H,33,37)
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n/an/a 2.70n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236353
PNG
(CHEMBL4060896)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C29H31F3N4O3/c30-29(31,32)25-8-1-2-9-26(25)36-18-16-35(17-19-36)15-4-3-14-34-28(38)39-24-12-10-21(11-13-24)22-6-5-7-23(20-22)27(33)37/h1-2,5-13,20H,3-4,14-19H2,(H2,33,37)(H,34,38)
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n/an/a 2.70n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236332
PNG
(CHEMBL4072282)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C28H32N4O4/c1-35-26-9-3-2-8-25(26)32-18-16-31(17-19-32)15-5-14-30-28(34)36-24-12-10-21(11-13-24)22-6-4-7-23(20-22)27(29)33/h2-4,6-13,20H,5,14-19H2,1H3,(H2,29,33)(H,30,34)
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n/an/a 2.80n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236339
PNG
(CHEMBL4094794)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O3/c1-22-7-2-3-10-27(22)33-19-17-32(18-20-33)16-5-4-15-31-29(35)36-26-13-11-23(12-14-26)24-8-6-9-25(21-24)28(30)34/h2-3,6-14,21H,4-5,15-20H2,1H3,(H2,30,34)(H,31,35)
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n/an/a 3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236344
PNG
(CHEMBL4103339)
Show SMILES Clc1cccc(N2CCN(CCCNC(=O)Oc3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C26H27Cl2N3O2/c27-23-8-4-9-24(25(23)28)31-18-16-30(17-19-31)15-5-14-29-26(32)33-22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-4,6-13H,5,14-19H2,(H,29,32)
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n/an/a 3.30n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236352
PNG
(CHEMBL4090581)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C28H32N4O3/c29-27(33)24-8-6-7-23(21-24)22-11-13-26(14-12-22)35-28(34)30-15-4-5-16-31-17-19-32(20-18-31)25-9-2-1-3-10-25/h1-3,6-14,21H,4-5,15-20H2,(H2,29,33)(H,30,34)
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n/an/a 3.5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236358
PNG
(CHEMBL4063681)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCNC(=O)Oc3cccc(c3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O2/c28-24-12-7-13-25(26(24)29)32-18-16-31(17-19-32)15-5-4-14-30-27(33)34-23-11-6-10-22(20-23)21-8-2-1-3-9-21/h1-3,6-13,20H,4-5,14-19H2,(H,30,33)
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n/an/a 4.10n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236337
PNG
(CHEMBL4098174)
Show SMILES COc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C28H31Cl2N3O3/c1-35-26-20-22(12-13-23(26)21-8-3-2-4-9-21)36-28(34)31-14-5-6-15-32-16-18-33(19-17-32)25-11-7-10-24(29)27(25)30/h2-4,7-13,20H,5-6,14-19H2,1H3,(H,31,34)
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n/an/a 4.30n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 4.60n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]anandamide from FAAH in rat brain membranes after 30 mins by liquid scintillation counting

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236348
PNG
(CHEMBL4092900)
Show SMILES Clc1cccc(N2CCN(CCCNC(=O)Oc3ccc4c(c3)[nH]c3ccccc43)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O2/c27-21-6-3-8-24(25(21)28)32-15-13-31(14-16-32)12-4-11-29-26(33)34-18-9-10-20-19-5-1-2-7-22(19)30-23(20)17-18/h1-3,5-10,17,30H,4,11-16H2,(H,29,33)
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n/an/a 4.80n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236336
PNG
(CHEMBL4062484)
Show SMILES Fc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C27H28Cl2FN3O2/c28-23-9-6-10-25(26(23)29)33-17-15-32(16-18-33)14-5-4-13-31-27(34)35-21-11-12-22(24(30)19-21)20-7-2-1-3-8-20/h1-3,6-12,19H,4-5,13-18H2,(H,31,34)
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n/an/a 6n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236354
PNG
(CHEMBL4087889)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-23-9-5-6-12-27(23)31-21-19-30(20-22-31)18-8-7-17-29-28(32)33-26-15-13-25(14-16-26)24-10-3-2-4-11-24/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)
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n/an/a 7.60n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236349
PNG
(CHEMBL4072140)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)Oc3ccc4c(c3)[nH]c3ccccc43)CC2)c1Cl
Show InChI InChI=1S/C27H28Cl2N4O2/c28-22-7-5-9-25(26(22)29)33-16-14-32(15-17-33)13-4-3-12-30-27(34)35-19-10-11-21-20-6-1-2-8-23(20)31-24(21)18-19/h1-2,5-11,18,31H,3-4,12-17H2,(H,30,34)
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n/an/a 8n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236338
PNG
(CHEMBL4099236)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-10-3-2-9-26(27)33-19-17-32(18-20-33)16-5-4-15-31-29(35)37-25-13-11-22(12-14-25)23-7-6-8-24(21-23)28(30)34/h2-3,6-14,21H,4-5,15-20H2,1H3,(H2,30,34)(H,31,35)
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n/an/a 11n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236351
PNG
(CHEMBL4059573)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H30F3N3O2/c29-28(30,31)25-10-4-5-11-26(25)34-20-18-33(19-21-34)17-7-6-16-32-27(35)36-24-14-12-23(13-15-24)22-8-2-1-3-9-22/h1-5,8-15H,6-7,16-21H2,(H,32,35)
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n/an/a 21n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236350
PNG
(CHEMBL4071121)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc3c(c2)[nH]c2ccccc32)CC1
Show InChI InChI=1S/C28H32N4O3/c1-34-27-11-5-4-10-26(27)32-18-16-31(17-19-32)15-7-6-14-29-28(33)35-21-12-13-23-22-8-2-3-9-24(22)30-25(23)20-21/h2-5,8-13,20,30H,6-7,14-19H2,1H3,(H,29,33)
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n/an/a 37n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SR- 141716A binding to human CB1 receptor expressed in CHO cell membranes in absence of agonist 5''-guanylyimidodiphosphate

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236355
PNG
(CHEMBL4068218)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O3/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)34-25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)
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n/an/a 39n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236335
PNG
(CHEMBL4090459)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(c(OC)c2)-c2ccccc2)CC1
Show InChI InChI=1S/C29H35N3O4/c1-34-27-13-7-6-12-26(27)32-20-18-31(19-21-32)17-9-8-16-30-29(33)36-24-14-15-25(28(22-24)35-2)23-10-4-3-5-11-23/h3-7,10-15,22H,8-9,16-21H2,1-2H3,(H,30,33)
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n/an/a 43n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50236341
PNG
(CHEMBL4102620)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(c(OC)c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C30H36N4O5/c1-37-27-11-4-3-10-26(27)34-18-16-33(17-19-34)15-6-5-14-32-30(36)39-24-12-13-25(28(21-24)38-2)22-8-7-9-23(20-22)29(31)35/h3-4,7-13,20-21H,5-6,14-19H2,1-2H3,(H2,31,35)(H,32,36)
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n/an/a 63n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50128585
PNG
(CHEMBL431202 | Cyclohexyl-carbamic acid biphenyl-3...)
Show SMILES O=C(NC1CCCCC1)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H21NO2/c21-19(20-17-11-5-2-6-12-17)22-18-13-7-10-16(14-18)15-8-3-1-4-9-15/h1,3-4,7-10,13-14,17H,2,5-6,11-12H2,(H,20,21)
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n/an/a 63n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]anandamide from FAAH in rat brain membranes after 30 mins by liquid scintillation counting

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236333
PNG
(CHEMBL4092052)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C28H30Cl2N4O3/c29-24-7-4-8-25(26(24)30)34-17-15-33(16-18-34)14-2-1-13-32-28(36)37-23-11-9-20(10-12-23)21-5-3-6-22(19-21)27(31)35/h3-12,19H,1-2,13-18H2,(H2,31,35)(H,32,36)
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n/an/an/an/a 1n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236345
PNG
(CHEMBL4079093)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCNC(=O)Oc3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O2/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)34-23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14H,4-5,15-20H2,(H,30,33)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236346
PNG
(CHEMBL4100634)
Show SMILES [H][C@@]12C=C(CO)CC[C@@]1([H])C(C)(C)Oc1cc(ccc21)C(C)(C)CCCCCC |r,t:2|
Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h11-12,15-16,21-22,26H,6-10,13-14,17H2,1-5H3/t21-,22+/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236349
PNG
(CHEMBL4072140)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)Oc3ccc4c(c3)[nH]c3ccccc43)CC2)c1Cl
Show InChI InChI=1S/C27H28Cl2N4O2/c28-22-7-5-9-25(26(22)29)33-16-14-32(15-17-33)13-4-3-12-30-27(34)35-19-10-11-21-20-6-1-2-8-23(20)31-24(21)18-19/h1-2,5-11,18,31H,3-4,12-17H2,(H,30,34)
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n/an/an/an/a 370n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236335
PNG
(CHEMBL4090459)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(c(OC)c2)-c2ccccc2)CC1
Show InChI InChI=1S/C29H35N3O4/c1-34-27-13-7-6-12-26(27)32-20-18-31(19-21-32)17-9-8-16-30-29(33)36-24-14-15-25(28(22-24)35-2)23-10-4-3-5-11-23/h3-7,10-15,22H,8-9,16-21H2,1-2H3,(H,30,33)
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n/an/an/an/a 93n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236337
PNG
(CHEMBL4098174)
Show SMILES COc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C28H31Cl2N3O3/c1-35-26-20-22(12-13-23(26)21-8-3-2-4-9-21)36-28(34)31-14-5-6-15-32-16-18-33(19-17-32)25-11-7-10-24(29)27(25)30/h2-4,7-13,20H,5-6,14-19H2,1H3,(H,31,34)
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n/an/an/an/a 1.70n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236341
PNG
(CHEMBL4102620)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(c(OC)c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C30H36N4O5/c1-37-27-11-4-3-10-26(27)34-18-16-33(17-19-34)15-6-5-14-32-30(36)39-24-12-13-25(28(21-24)38-2)22-8-7-9-23(20-22)29(31)35/h3-4,7-13,20-21H,5-6,14-19H2,1-2H3,(H2,31,35)(H,32,36)
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n/an/an/an/a 3.90n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236348
PNG
(CHEMBL4092900)
Show SMILES Clc1cccc(N2CCN(CCCNC(=O)Oc3ccc4c(c3)[nH]c3ccccc43)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O2/c27-21-6-3-8-24(25(21)28)32-15-13-31(14-16-32)12-4-11-29-26(33)34-18-9-10-20-19-5-1-2-7-22(19)30-23(20)17-18/h1-3,5-10,17,30H,4,11-16H2,(H,29,33)
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n/an/an/an/a 380n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236334
PNG
(CHEMBL4071240)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C28H30Cl2N4O3/c29-24-10-5-11-25(26(24)30)34-16-14-33(15-17-34)13-2-1-12-32-28(36)37-23-9-4-7-21(19-23)20-6-3-8-22(18-20)27(31)35/h3-11,18-19H,1-2,12-17H2,(H2,31,35)(H,32,36)
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n/an/an/an/a 0.900n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236345
PNG
(CHEMBL4079093)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCNC(=O)Oc3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O2/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)34-23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14H,4-5,15-20H2,(H,30,33)
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n/an/an/an/a 18n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236343
PNG
(CHEMBL4086944)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1F
Show InChI InChI=1S/C28H27Cl2FN4O3/c29-23-7-4-8-25(26(23)30)35-15-13-34(14-16-35)12-2-1-11-33-28(37)38-21-9-10-22(24(31)18-21)19-5-3-6-20(17-19)27(32)36/h1-10,17-18H,11-16H2,(H2,32,36)(H,33,37)/b2-1+
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n/an/an/an/a 66n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236355
PNG
(CHEMBL4068218)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O3/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)34-25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)
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n/an/an/an/a 330n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236350
PNG
(CHEMBL4071121)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc3c(c2)[nH]c2ccccc32)CC1
Show InChI InChI=1S/C28H32N4O3/c1-34-27-11-5-4-10-26(27)32-18-16-31(17-19-32)15-7-6-14-29-28(33)35-21-12-13-23-22-8-2-3-9-24(22)30-25(23)20-21/h2-5,8-13,20,30H,6-7,14-19H2,1H3,(H,29,33)
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n/an/an/an/a 2.34E+3n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236336
PNG
(CHEMBL4062484)
Show SMILES Fc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C27H28Cl2FN3O2/c28-23-9-6-10-25(26(23)29)33-17-15-32(16-18-33)14-5-4-13-31-27(34)35-21-11-12-22(24(30)19-21)20-7-2-1-3-8-20/h1-3,6-12,19H,4-5,13-18H2,(H,31,34)
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n/an/an/an/a 339n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236353
PNG
(CHEMBL4060896)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C29H31F3N4O3/c30-29(31,32)25-8-1-2-9-26(25)36-18-16-35(17-19-36)15-4-3-14-34-28(38)39-24-12-10-21(11-13-24)22-6-5-7-23(20-22)27(33)37/h1-2,5-13,20H,3-4,14-19H2,(H2,33,37)(H,34,38)
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n/an/an/an/a 11n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236343
PNG
(CHEMBL4086944)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1F
Show InChI InChI=1S/C28H27Cl2FN4O3/c29-23-7-4-8-25(26(23)30)35-15-13-34(14-16-35)12-2-1-11-33-28(37)38-21-9-10-22(24(31)18-21)19-5-3-6-20(17-19)27(32)36/h1-10,17-18H,11-16H2,(H2,32,36)(H,33,37)/b2-1+
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n/an/an/an/a 9.10n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro thrombin inhibition

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236338
PNG
(CHEMBL4099236)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-10-3-2-9-26(27)33-19-17-32(18-20-33)16-5-4-15-31-29(35)37-25-13-11-22(12-14-25)23-7-6-8-24(21-23)28(30)34/h2-3,6-14,21H,4-5,15-20H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 0.900n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236331
PNG
(CHEMBL4091498)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-23-6-2-7-24(25(23)29)33-16-14-32(15-17-33)13-3-12-31-27(35)36-22-10-8-19(9-11-22)20-4-1-5-21(18-20)26(30)34/h1-2,4-11,18H,3,12-17H2,(H2,30,34)(H,31,35)
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n/an/an/an/a 0.900n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236326
PNG
(CHEMBL4073966)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C28H32N4O3/c29-27(33)24-10-6-8-22(20-24)23-9-7-13-26(21-23)35-28(34)30-14-4-5-15-31-16-18-32(19-17-31)25-11-2-1-3-12-25/h1-3,6-13,20-21H,4-5,14-19H2,(H2,29,33)(H,30,34)
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n/an/an/an/a 3.70n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236342
PNG
(CHEMBL4065510)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C28H28Cl2N4O3/c29-24-7-4-8-25(26(24)30)34-17-15-33(16-18-34)14-2-1-13-32-28(36)37-23-11-9-20(10-12-23)21-5-3-6-22(19-21)27(31)35/h1-12,19H,13-18H2,(H2,31,35)(H,32,36)/b2-1+
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n/an/an/an/a 20n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236347
PNG
(CHEMBL4082631)
Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(ccc21)C(C)(C)CCC |r,t:2|
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h9-10,13-14,18-19H,7-8,11-12H2,1-6H3/t18-,19+/m0/s1
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n/an/an/an/a 667n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236350
PNG
(CHEMBL4071121)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc3c(c2)[nH]c2ccccc32)CC1
Show InChI InChI=1S/C28H32N4O3/c1-34-27-11-5-4-10-26(27)32-18-16-31(17-19-32)15-7-6-14-29-28(33)35-21-12-13-23-22-8-2-3-9-24(22)30-25(23)20-21/h2-5,8-13,20,30H,6-7,14-19H2,1H3,(H,29,33)
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n/an/an/an/a 12n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236340
PNG
(CHEMBL4069565)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1F
Show InChI InChI=1S/C28H29Cl2FN4O3/c29-23-7-4-8-25(26(23)30)35-15-13-34(14-16-35)12-2-1-11-33-28(37)38-21-9-10-22(24(31)18-21)19-5-3-6-20(17-19)27(32)36/h3-10,17-18H,1-2,11-16H2,(H2,32,36)(H,33,37)
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n/an/an/an/a 14n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236332
PNG
(CHEMBL4072282)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C28H32N4O4/c1-35-26-9-3-2-8-25(26)32-18-16-31(17-19-32)15-5-14-30-28(34)36-24-12-10-21(11-13-24)22-6-4-7-23(20-22)27(29)33/h2-4,6-13,20H,5,14-19H2,1H3,(H2,29,33)(H,30,34)
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n/an/an/an/a 7.40n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236332
PNG
(CHEMBL4072282)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C28H32N4O4/c1-35-26-9-3-2-8-25(26)32-18-16-31(17-19-32)15-5-14-30-28(34)36-24-12-10-21(11-13-24)22-6-4-7-23(20-22)27(29)33/h2-4,6-13,20H,5,14-19H2,1H3,(H2,29,33)(H,30,34)
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n/an/an/an/a 2.60n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236334
PNG
(CHEMBL4071240)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C28H30Cl2N4O3/c29-24-10-5-11-25(26(24)30)34-16-14-33(15-17-34)13-2-1-12-32-28(36)37-23-9-4-7-21(19-23)20-6-3-8-22(18-20)27(31)35/h3-11,18-19H,1-2,12-17H2,(H2,31,35)(H,32,36)
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n/an/an/an/a 0.900n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236332
PNG
(CHEMBL4072282)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C28H32N4O4/c1-35-26-9-3-2-8-25(26)32-18-16-31(17-19-32)15-5-14-30-28(34)36-24-12-10-21(11-13-24)22-6-4-7-23(20-22)27(29)33/h2-4,6-13,20H,5,14-19H2,1H3,(H2,29,33)(H,30,34)
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n/an/an/an/a 2.60n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236339
PNG
(CHEMBL4094794)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O3/c1-22-7-2-3-10-27(22)33-19-17-32(18-20-33)16-5-4-15-31-29(35)36-26-13-11-23(12-14-26)24-8-6-9-25(21-24)28(30)34/h2-3,6-14,21H,4-5,15-20H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 52n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236333
PNG
(CHEMBL4092052)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C28H30Cl2N4O3/c29-24-7-4-8-25(26(24)30)34-17-15-33(16-18-34)14-2-1-13-32-28(36)37-23-11-9-20(10-12-23)21-5-3-6-22(19-21)27(31)35/h3-12,19H,1-2,13-18H2,(H2,31,35)(H,32,36)
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n/an/an/an/a 14n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236340
PNG
(CHEMBL4069565)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1F
Show InChI InChI=1S/C28H29Cl2FN4O3/c29-23-7-4-8-25(26(23)30)35-15-13-34(14-16-35)12-2-1-11-33-28(37)38-21-9-10-22(24(31)18-21)19-5-3-6-20(17-19)27(32)36/h3-10,17-18H,1-2,11-16H2,(H2,32,36)(H,33,37)
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n/an/an/an/a 15n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236344
PNG
(CHEMBL4103339)
Show SMILES Clc1cccc(N2CCN(CCCNC(=O)Oc3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C26H27Cl2N3O2/c27-23-8-4-9-24(25(23)28)31-18-16-30(17-19-31)15-5-14-29-26(32)33-22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-4,6-13H,5,14-19H2,(H,29,32)
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n/an/an/an/a 70n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236328
PNG
(CHEMBL4099798)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 56n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236331
PNG
(CHEMBL4091498)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-23-6-2-7-24(25(23)29)33-16-14-32(15-17-33)13-3-12-31-27(35)36-22-10-8-19(9-11-22)20-4-1-5-21(18-20)26(30)34/h1-2,4-11,18H,3,12-17H2,(H2,30,34)(H,31,35)
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n/an/an/an/a 40n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236349
PNG
(CHEMBL4072140)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)Oc3ccc4c(c3)[nH]c3ccccc43)CC2)c1Cl
Show InChI InChI=1S/C27H28Cl2N4O2/c28-22-7-5-9-25(26(22)29)33-16-14-32(15-17-33)13-4-3-12-30-27(34)35-19-10-11-21-20-6-1-2-8-23(20)31-24(21)18-19/h1-2,5-11,18,31H,3-4,12-17H2,(H,30,34)
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n/an/an/an/a 120n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236358
PNG
(CHEMBL4063681)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCNC(=O)Oc3cccc(c3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O2/c28-24-12-7-13-25(26(24)29)32-18-16-31(17-19-32)15-5-4-14-30-27(33)34-23-11-6-10-22(20-23)21-8-2-1-3-9-21/h1-3,6-13,20H,4-5,14-19H2,(H,30,33)
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n/an/an/an/a 240n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236340
PNG
(CHEMBL4069565)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1F
Show InChI InChI=1S/C28H29Cl2FN4O3/c29-23-7-4-8-25(26(23)30)35-15-13-34(14-16-35)12-2-1-11-33-28(37)38-21-9-10-22(24(31)18-21)19-5-3-6-20(17-19)27(32)36/h3-10,17-18H,1-2,11-16H2,(H2,32,36)(H,33,37)
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n/an/an/an/a 19n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236328
PNG
(CHEMBL4099798)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 14n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236330
PNG
(CHEMBL4070196)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-23-9-3-10-24(25(23)29)33-15-13-32(14-16-33)12-4-11-31-27(35)36-22-8-2-6-20(18-22)19-5-1-7-21(17-19)26(30)34/h1-3,5-10,17-18H,4,11-16H2,(H2,30,34)(H,31,35)
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n/an/an/an/a 13n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236334
PNG
(CHEMBL4071240)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C28H30Cl2N4O3/c29-24-10-5-11-25(26(24)30)34-16-14-33(15-17-34)13-2-1-12-32-28(36)37-23-9-4-7-21(19-23)20-6-3-8-22(18-20)27(31)35/h3-11,18-19H,1-2,12-17H2,(H2,31,35)(H,32,36)
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n/an/an/an/a 45n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236329
PNG
(CHEMBL4081780)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C28H32N4O4/c1-35-26-12-3-2-11-25(26)32-17-15-31(16-18-32)14-6-13-30-28(34)36-24-10-5-8-22(20-24)21-7-4-9-23(19-21)27(29)33/h2-5,7-12,19-20H,6,13-18H2,1H3,(H2,29,33)(H,30,34)
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n/an/an/an/a 54n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236338
PNG
(CHEMBL4099236)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-10-3-2-9-26(27)33-19-17-32(18-20-33)16-5-4-15-31-29(35)37-25-13-11-22(12-14-25)23-7-6-8-24(21-23)28(30)34/h2-3,6-14,21H,4-5,15-20H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 320n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236343
PNG
(CHEMBL4086944)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1F
Show InChI InChI=1S/C28H27Cl2FN4O3/c29-23-7-4-8-25(26(23)30)35-15-13-34(14-16-35)12-2-1-11-33-28(37)38-21-9-10-22(24(31)18-21)19-5-3-6-20(17-19)27(32)36/h1-10,17-18H,11-16H2,(H2,32,36)(H,33,37)/b2-1+
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n/an/an/an/a 9.20n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236349
PNG
(CHEMBL4072140)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)Oc3ccc4c(c3)[nH]c3ccccc43)CC2)c1Cl
Show InChI InChI=1S/C27H28Cl2N4O2/c28-22-7-5-9-25(26(22)29)33-16-14-32(15-17-33)13-4-3-12-30-27(34)35-19-10-11-21-20-6-1-2-8-23(20)31-24(21)18-19/h1-2,5-11,18,31H,3-4,12-17H2,(H,30,34)
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n/an/an/an/a 372n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236344
PNG
(CHEMBL4103339)
Show SMILES Clc1cccc(N2CCN(CCCNC(=O)Oc3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C26H27Cl2N3O2/c27-23-8-4-9-24(25(23)28)31-18-16-30(17-19-31)15-5-14-29-26(32)33-22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-4,6-13H,5,14-19H2,(H,29,32)
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n/an/an/an/a 17n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236342
PNG
(CHEMBL4065510)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C28H28Cl2N4O3/c29-24-7-4-8-25(26(24)30)34-17-15-33(16-18-34)14-2-1-13-32-28(36)37-23-11-9-20(10-12-23)21-5-3-6-22(19-21)27(31)35/h1-12,19H,13-18H2,(H2,31,35)(H,32,36)/b2-1+
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n/an/an/an/a 147n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236337
PNG
(CHEMBL4098174)
Show SMILES COc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C28H31Cl2N3O3/c1-35-26-20-22(12-13-23(26)21-8-3-2-4-9-21)36-28(34)31-14-5-6-15-32-16-18-33(19-17-32)25-11-7-10-24(29)27(25)30/h2-4,7-13,20H,5-6,14-19H2,1H3,(H,31,34)
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n/an/an/an/a 219n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236352
PNG
(CHEMBL4090581)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C28H32N4O3/c29-27(33)24-8-6-7-23(21-24)22-11-13-26(14-12-22)35-28(34)30-15-4-5-16-31-17-19-32(20-18-31)25-9-2-1-3-10-25/h1-3,6-14,21H,4-5,15-20H2,(H2,29,33)(H,30,34)
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n/an/an/an/a 3.60n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236339
PNG
(CHEMBL4094794)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O3/c1-22-7-2-3-10-27(22)33-19-17-32(18-20-33)16-5-4-15-31-29(35)36-26-13-11-23(12-14-26)24-8-6-9-25(21-24)28(30)34/h2-3,6-14,21H,4-5,15-20H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 4n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236344
PNG
(CHEMBL4103339)
Show SMILES Clc1cccc(N2CCN(CCCNC(=O)Oc3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C26H27Cl2N3O2/c27-23-8-4-9-24(25(23)28)31-18-16-30(17-19-31)15-5-14-29-26(32)33-22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-4,6-13H,5,14-19H2,(H,29,32)
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n/an/an/an/a 71n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236329
PNG
(CHEMBL4081780)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C28H32N4O4/c1-35-26-12-3-2-11-25(26)32-17-15-31(16-18-32)14-6-13-30-28(34)36-24-10-5-8-22(20-24)21-7-4-9-23(19-21)27(29)33/h2-5,7-12,19-20H,6,13-18H2,1H3,(H2,29,33)(H,30,34)
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n/an/an/an/a 19n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236334
PNG
(CHEMBL4071240)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C28H30Cl2N4O3/c29-24-10-5-11-25(26(24)30)34-16-14-33(15-17-34)13-2-1-12-32-28(36)37-23-9-4-7-21(19-23)20-6-3-8-22(18-20)27(31)35/h3-11,18-19H,1-2,12-17H2,(H2,31,35)(H,32,36)
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n/an/an/an/a 6.5n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236330
PNG
(CHEMBL4070196)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-23-9-3-10-24(25(23)29)33-15-13-32(14-16-33)12-4-11-31-27(35)36-22-8-2-6-20(18-22)19-5-1-7-21(17-19)26(30)34/h1-3,5-10,17-18H,4,11-16H2,(H2,30,34)(H,31,35)
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n/an/an/an/a 1n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236329
PNG
(CHEMBL4081780)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C28H32N4O4/c1-35-26-12-3-2-11-25(26)32-17-15-31(16-18-32)14-6-13-30-28(34)36-24-10-5-8-22(20-24)21-7-4-9-23(19-21)27(29)33/h2-5,7-12,19-20H,6,13-18H2,1H3,(H2,29,33)(H,30,34)
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n/an/an/an/a 1.40n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236328
PNG
(CHEMBL4099798)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 2.30n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236331
PNG
(CHEMBL4091498)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-23-6-2-7-24(25(23)29)33-16-14-32(15-17-33)13-3-12-31-27(35)36-22-10-8-19(9-11-22)20-4-1-5-21(18-20)26(30)34/h1-2,4-11,18H,3,12-17H2,(H2,30,34)(H,31,35)
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n/an/an/an/a 6.20n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236332
PNG
(CHEMBL4072282)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C28H32N4O4/c1-35-26-9-3-2-8-25(26)32-18-16-31(17-19-32)15-5-14-30-28(34)36-24-12-10-21(11-13-24)22-6-4-7-23(20-22)27(29)33/h2-4,6-13,20H,5,14-19H2,1H3,(H2,29,33)(H,30,34)
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n/an/an/an/a 22n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236339
PNG
(CHEMBL4094794)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O3/c1-22-7-2-3-10-27(22)33-19-17-32(18-20-33)16-5-4-15-31-29(35)36-26-13-11-23(12-14-26)24-8-6-9-25(21-24)28(30)34/h2-3,6-14,21H,4-5,15-20H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 49n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236344
PNG
(CHEMBL4103339)
Show SMILES Clc1cccc(N2CCN(CCCNC(=O)Oc3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C26H27Cl2N3O2/c27-23-8-4-9-24(25(23)28)31-18-16-30(17-19-31)15-5-14-29-26(32)33-22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-4,6-13H,5,14-19H2,(H,29,32)
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n/an/an/an/a 15n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236351
PNG
(CHEMBL4059573)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H30F3N3O2/c29-28(30,31)25-10-4-5-11-26(25)34-20-18-33(19-21-34)17-7-6-16-32-27(35)36-24-14-12-23(13-15-24)22-8-2-1-3-9-22/h1-5,8-15H,6-7,16-21H2,(H,32,35)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236345
PNG
(CHEMBL4079093)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCNC(=O)Oc3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O2/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)34-23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14H,4-5,15-20H2,(H,30,33)
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n/an/an/an/a 1.51E+3n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236357
PNG
(CHEMBL4078351)
Show SMILES COc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C29H32Cl2N4O4/c1-38-26-19-22(10-11-23(26)20-6-4-7-21(18-20)28(32)36)39-29(37)33-12-2-3-13-34-14-16-35(17-15-34)25-9-5-8-24(30)27(25)31/h4-11,18-19H,2-3,12-17H2,1H3,(H2,32,36)(H,33,37)
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n/an/an/an/a 4.40n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236333
PNG
(CHEMBL4092052)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C28H30Cl2N4O3/c29-24-7-4-8-25(26(24)30)34-17-15-33(16-18-34)14-2-1-13-32-28(36)37-23-11-9-20(10-12-23)21-5-3-6-22(19-21)27(31)35/h3-12,19H,1-2,13-18H2,(H2,31,35)(H,32,36)
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n/an/an/an/a 13n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236338
PNG
(CHEMBL4099236)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-10-3-2-9-26(27)33-19-17-32(18-20-33)16-5-4-15-31-29(35)37-25-13-11-22(12-14-25)23-7-6-8-24(21-23)28(30)34/h2-3,6-14,21H,4-5,15-20H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 53n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236348
PNG
(CHEMBL4092900)
Show SMILES Clc1cccc(N2CCN(CCCNC(=O)Oc3ccc4c(c3)[nH]c3ccccc43)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O2/c27-21-6-3-8-24(25(21)28)32-15-13-31(14-16-32)12-4-11-29-26(33)34-18-9-10-20-19-5-1-2-7-22(19)30-23(20)17-18/h1-3,5-10,17,30H,4,11-16H2,(H,29,33)
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n/an/an/an/a 380n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236343
PNG
(CHEMBL4086944)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1F
Show InChI InChI=1S/C28H27Cl2FN4O3/c29-23-7-4-8-25(26(23)30)35-15-13-34(14-16-35)12-2-1-11-33-28(37)38-21-9-10-22(24(31)18-21)19-5-3-6-20(17-19)27(32)36/h1-10,17-18H,11-16H2,(H2,32,36)(H,33,37)/b2-1+
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n/an/an/an/a 6.90n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236330
PNG
(CHEMBL4070196)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-23-9-3-10-24(25(23)29)33-15-13-32(14-16-33)12-4-11-31-27(35)36-22-8-2-6-20(18-22)19-5-1-7-21(17-19)26(30)34/h1-3,5-10,17-18H,4,11-16H2,(H2,30,34)(H,31,35)
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n/an/an/an/a 14n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236356
PNG
(CHEMBL4095588)
Show SMILES Cl.COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H31N3O3/c1-32-26-11-6-5-10-25(26)30-20-18-29(19-21-30)17-7-16-28-27(31)33-24-14-12-23(13-15-24)22-8-3-2-4-9-22/h2-6,8-15H,7,16-21H2,1H3,(H,28,31)
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n/an/an/an/a 14n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236328
PNG
(CHEMBL4099798)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 2.30n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236342
PNG
(CHEMBL4065510)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C28H28Cl2N4O3/c29-24-7-4-8-25(26(24)30)34-17-15-33(16-18-34)14-2-1-13-32-28(36)37-23-11-9-20(10-12-23)21-5-3-6-22(19-21)27(31)35/h1-12,19H,13-18H2,(H2,31,35)(H,32,36)/b2-1+
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n/an/an/an/a 20n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236350
PNG
(CHEMBL4071121)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc3c(c2)[nH]c2ccccc32)CC1
Show InChI InChI=1S/C28H32N4O3/c1-34-27-11-5-4-10-26(27)32-18-16-31(17-19-32)15-7-6-14-29-28(33)35-21-12-13-23-22-8-2-3-9-24(22)30-25(23)20-21/h2-5,8-13,20,30H,6-7,14-19H2,1H3,(H,29,33)
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n/an/an/an/a 58n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro thrombin inhibition

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236335
PNG
(CHEMBL4090459)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(c(OC)c2)-c2ccccc2)CC1
Show InChI InChI=1S/C29H35N3O4/c1-34-27-13-7-6-12-26(27)32-20-18-31(19-21-32)17-9-8-16-30-29(33)36-24-14-15-25(28(22-24)35-2)23-10-4-3-5-11-23/h3-7,10-15,22H,8-9,16-21H2,1-2H3,(H,30,33)
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n/an/an/an/a 37n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236338
PNG
(CHEMBL4099236)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-10-3-2-9-26(27)33-19-17-32(18-20-33)16-5-4-15-31-29(35)37-25-13-11-22(12-14-25)23-7-6-8-24(21-23)28(30)34/h2-3,6-14,21H,4-5,15-20H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 320n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236341
PNG
(CHEMBL4102620)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(c(OC)c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C30H36N4O5/c1-37-27-11-4-3-10-26(27)34-18-16-33(17-19-34)15-6-5-14-32-30(36)39-24-12-13-25(28(21-24)38-2)22-8-7-9-23(20-22)29(31)35/h3-4,7-13,20-21H,5-6,14-19H2,1-2H3,(H2,31,35)(H,32,36)
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n/an/an/an/a 110n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236350
PNG
(CHEMBL4071121)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc3c(c2)[nH]c2ccccc32)CC1
Show InChI InChI=1S/C28H32N4O3/c1-34-27-11-5-4-10-26(27)32-18-16-31(17-19-32)15-7-6-14-29-28(33)35-21-12-13-23-22-8-2-3-9-24(22)30-25(23)20-21/h2-5,8-13,20,30H,6-7,14-19H2,1H3,(H,29,33)
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n/an/an/an/a 2.30E+3n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236336
PNG
(CHEMBL4062484)
Show SMILES Fc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C27H28Cl2FN3O2/c28-23-9-6-10-25(26(23)29)33-17-15-32(16-18-33)14-5-4-13-31-27(34)35-21-11-12-22(24(30)19-21)20-7-2-1-3-8-20/h1-3,6-12,19H,4-5,13-18H2,(H,31,34)
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n/an/an/an/a 340n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236336
PNG
(CHEMBL4062484)
Show SMILES Fc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C27H28Cl2FN3O2/c28-23-9-6-10-25(26(23)29)33-17-15-32(16-18-33)14-5-4-13-31-27(34)35-21-11-12-22(24(30)19-21)20-7-2-1-3-8-20/h1-3,6-12,19H,4-5,13-18H2,(H,31,34)
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n/an/an/an/a 3.70n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236342
PNG
(CHEMBL4065510)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C28H28Cl2N4O3/c29-24-7-4-8-25(26(24)30)34-17-15-33(16-18-34)14-2-1-13-32-28(36)37-23-11-9-20(10-12-23)21-5-3-6-22(19-21)27(31)35/h1-12,19H,13-18H2,(H2,31,35)(H,32,36)/b2-1+
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n/an/an/an/a 38n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236345
PNG
(CHEMBL4079093)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCNC(=O)Oc3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O2/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)34-23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14H,4-5,15-20H2,(H,30,33)
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n/an/an/an/a 135n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236327
PNG
(CHEMBL4100735)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C27H30N4O3/c28-26(32)23-9-4-7-21(19-23)22-8-5-12-25(20-22)34-27(33)29-13-6-14-30-15-17-31(18-16-30)24-10-2-1-3-11-24/h1-5,7-12,19-20H,6,13-18H2,(H2,28,32)(H,29,33)
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n/an/an/an/a 2.10n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236331
PNG
(CHEMBL4091498)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-23-6-2-7-24(25(23)29)33-16-14-32(15-17-33)13-3-12-31-27(35)36-22-10-8-19(9-11-22)20-4-1-5-21(18-20)26(30)34/h1-2,4-11,18H,3,12-17H2,(H2,30,34)(H,31,35)
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n/an/an/an/a 6.10n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236330
PNG
(CHEMBL4070196)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-23-9-3-10-24(25(23)29)33-15-13-32(14-16-33)12-4-11-31-27(35)36-22-8-2-6-20(18-22)19-5-1-7-21(17-19)26(30)34/h1-3,5-10,17-18H,4,11-16H2,(H2,30,34)(H,31,35)
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n/an/an/an/a 14n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236339
PNG
(CHEMBL4094794)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O3/c1-22-7-2-3-10-27(22)33-19-17-32(18-20-33)16-5-4-15-31-29(35)36-26-13-11-23(12-14-26)24-8-6-9-25(21-24)28(30)34/h2-3,6-14,21H,4-5,15-20H2,1H3,(H2,30,34)(H,31,35)
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n/an/an/an/a 52n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM84889
PNG
(THC, 11-OH-delta 8 | THC-DMH, (+)-11-OH)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C=C(CO)CC[C@H]3C(C)(C)Oc2c1 |t:15|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h13-15,19-20,26-27H,6-12,16H2,1-5H3/t19-,20-/m1/s1
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n/an/an/an/a 0.730n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236337
PNG
(CHEMBL4098174)
Show SMILES COc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C28H31Cl2N3O3/c1-35-26-20-22(12-13-23(26)21-8-3-2-4-9-21)36-28(34)31-14-5-6-15-32-16-18-33(19-17-32)25-11-7-10-24(29)27(25)30/h2-4,7-13,20H,5-6,14-19H2,1H3,(H,31,34)
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n/an/an/an/a 220n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236348
PNG
(CHEMBL4092900)
Show SMILES Clc1cccc(N2CCN(CCCNC(=O)Oc3ccc4c(c3)[nH]c3ccccc43)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O2/c27-21-6-3-8-24(25(21)28)32-15-13-31(14-16-32)12-4-11-29-26(33)34-18-9-10-20-19-5-1-2-7-22(19)30-23(20)17-18/h1-3,5-10,17,30H,4,11-16H2,(H,29,33)
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n/an/an/an/a 150n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50236341
PNG
(CHEMBL4102620)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(c(OC)c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C30H36N4O5/c1-37-27-11-4-3-10-26(27)34-18-16-33(17-19-34)15-6-5-14-32-30(36)39-24-12-13-25(28(21-24)38-2)22-8-7-9-23(20-22)29(31)35/h3-4,7-13,20-21H,5-6,14-19H2,1-2H3,(H2,31,35)(H,32,36)
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n/an/an/an/a 10n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236354
PNG
(CHEMBL4087889)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-23-9-5-6-12-27(23)31-21-19-30(20-22-31)18-8-7-17-29-28(32)33-26-15-13-25(14-16-26)24-10-3-2-4-11-24/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)
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n/an/an/an/a 130n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF ...

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236340
PNG
(CHEMBL4069565)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1F
Show InChI InChI=1S/C28H29Cl2FN4O3/c29-23-7-4-8-25(26(23)30)35-15-13-34(14-16-35)12-2-1-11-33-28(37)38-21-9-10-22(24(31)18-21)19-5-3-6-20(17-19)27(32)36/h3-10,17-18H,1-2,11-16H2,(H2,32,36)(H,33,37)
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n/an/an/an/a 15n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236341
PNG
(CHEMBL4102620)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(c(OC)c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C30H36N4O5/c1-37-27-11-4-3-10-26(27)34-18-16-33(17-19-34)15-6-5-14-32-30(36)39-24-12-13-25(28(21-24)38-2)22-8-7-9-23(20-22)29(31)35/h3-4,7-13,20-21H,5-6,14-19H2,1-2H3,(H2,31,35)(H,32,36)
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n/an/an/an/a 110n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236335
PNG
(CHEMBL4090459)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(c(OC)c2)-c2ccccc2)CC1
Show InChI InChI=1S/C29H35N3O4/c1-34-27-13-7-6-12-26(27)32-20-18-31(19-21-32)17-9-8-16-30-29(33)36-24-14-15-25(28(22-24)35-2)23-10-4-3-5-11-23/h3-7,10-15,22H,8-9,16-21H2,1-2H3,(H,30,33)
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n/an/an/an/a 93n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236329
PNG
(CHEMBL4081780)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C28H32N4O4/c1-35-26-12-3-2-11-25(26)32-17-15-31(16-18-32)14-6-13-30-28(34)36-24-10-5-8-22(20-24)21-7-4-9-23(19-21)27(29)33/h2-5,7-12,19-20H,6,13-18H2,1H3,(H2,29,33)(H,30,34)
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n/an/an/an/a 1.40n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50236333
PNG
(CHEMBL4092052)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C28H30Cl2N4O3/c29-24-7-4-8-25(26(24)30)34-17-15-33(16-18-34)14-2-1-13-32-28(36)37-23-11-9-20(10-12-23)21-5-3-6-22(19-21)27(31)35/h3-12,19H,1-2,13-18H2,(H2,31,35)(H,32,36)
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n/an/an/an/a 14n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay

J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%