Found 1473 hits with Last Name = 'orf' and Initial = 'j' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50000727
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:18| 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/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 359-68 (2002)
Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 359-68 (2002)
Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50000727
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:18| 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/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 359-68 (2002)
Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21244
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 359-68 (2002)
Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176440
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3C(=O)CCC2=O)CC1 Show InChI InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3 | PDB
UniProtKB/SwissProt
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PC sid
UniChem
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21244
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 359-68 (2002)
Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177356
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C22H31F3N6O2/c1-15-14-31(20(33)28-18(15)32)8-6-5-7-29-9-11-30(12-10-29)17-13-16(22(23,24)25)26-19(27-17)21(2,3)4/h13-14H,5-12H2,1-4H3,(H,28,32,33) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177350
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C27H33F3N6O/c1-26(2,3)24-32-22(27(28,29)30)19-23(33-24)35-17-15-34(16-18-35)12-7-8-13-36-14-11-21(31-25(36)37)20-9-5-4-6-10-20/h4-6,9-11,14,19H,7-8,12-13,15-18H2,1-3H3 | PDB
UniProtKB/SwissProt
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PC sid
UniChem
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| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177357
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CCc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C23H33F3N6O2/c1-5-16-15-32(21(34)29-19(16)33)9-7-6-8-30-10-12-31(13-11-30)18-14-17(23(24,25)26)27-20(28-18)22(2,3)4/h14-15H,5-13H2,1-4H3,(H,29,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177349
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H29F3N6O2/c1-20(2,3)18-25-15(21(22,23)24)14-16(26-18)29-12-10-28(11-13-29)7-4-5-8-30-9-6-17(31)27-19(30)32/h6,9,14H,4-5,7-8,10-13H2,1-3H3,(H,27,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177347
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(Cl)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H28ClF3N6O2/c1-20(2,3)18-26-15(21(23,24)25)12-16(27-18)30-10-8-29(9-11-30)6-4-5-7-31-13-14(22)17(32)28-19(31)33/h12-13H,4-11H2,1-3H3,(H,28,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176451
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3cccc(O)c3CCCC2=O)CC1 Show InChI InChI=1S/C27H36F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-4-5-13-35-20-9-7-10-21(36)19(20)8-6-11-24(35)37/h7,9-10,18,36H,4-6,8,11-17H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177344
(4-tert-butyl-1-(4-(4-(2-tert-butyl-6-(trifluoromet...)Show SMILES CC(C)(C)c1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C25H37F3N6O/c1-23(2,3)18-9-12-34(22(35)30-18)11-8-7-10-32-13-15-33(16-14-32)20-17-19(25(26,27)28)29-21(31-20)24(4,5)6/h9,12,17H,7-8,10-11,13-16H2,1-6H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177354
(2-(3-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCSc2nccc(=O)[nH]2)CC1 Show InChI InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30) | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177343
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(F)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H28F4N6O2/c1-20(2,3)18-26-15(21(23,24)25)12-16(27-18)30-10-8-29(9-11-30)6-4-5-7-31-13-14(22)17(32)28-19(31)33/h12-13H,4-11H2,1-3H3,(H,28,32,33) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
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PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50071235
(CHEMBL65078 | Cyclopropylmethyl-[3-(2,4-dichloro-p...)Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(17.18,-6.55,;17.15,-8.09,;15.79,-8.82,;15.75,-10.36,;17.06,-11.17,;17.01,-12.71,;18.31,-13.5,;15.65,-13.44,;14.4,-11.1,;14.35,-12.63,;12.98,-13.38,;12.93,-14.91,;11.67,-12.57,;11.72,-11.01,;10.61,-9.94,;11.28,-8.56,;10.55,-7.21,;12.81,-8.78,;13.09,-10.29,;9.11,-10.22,;8.1,-9.04,;6.59,-9.31,;6.08,-10.76,;4.57,-11.03,;7.07,-11.93,;8.59,-11.67,;9.57,-12.83,)| Show InChI InChI=1S/C21H24Cl2N4/c1-4-9-26(12-15-5-6-15)19-10-13(2)24-21-20(14(3)25-27(19)21)17-8-7-16(22)11-18(17)23/h7-8,10-11,15H,4-6,9,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 8: 2067-70 (1999)
BindingDB Entry DOI: 10.7270/Q2125RTC |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177342
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)N2CCCCC2)CC1 Show InChI InChI=1S/C26H38F3N7O/c1-25(2,3)23-30-20(26(27,28)29)19-22(31-23)35-17-15-33(16-18-35)10-7-8-13-36-14-9-21(32-24(36)37)34-11-5-4-6-12-34/h9,14,19H,4-8,10-13,15-18H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176446
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C26H34F3N5O/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-16-14-32(15-17-33)12-6-7-13-34-20-9-5-4-8-19(20)10-11-23(34)35/h4-5,8-9,18H,6-7,10-17H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177353
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)C2CC2)CC1 Show InChI InChI=1S/C24H33F3N6O/c1-23(2,3)21-29-19(24(25,26)27)16-20(30-21)32-14-12-31(13-15-32)9-4-5-10-33-11-8-18(17-6-7-17)28-22(33)34/h8,11,16-17H,4-7,9-10,12-15H2,1-3H3 | PDB
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antibodypedia
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PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176445
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2CCC(=O)CCC2=O)CC1 Show InChI InChI=1S/C23H34F3N5O2/c1-22(2,3)21-27-18(23(24,25)26)16-19(28-21)30-14-12-29(13-15-30)9-4-5-10-31-11-8-17(32)6-7-20(31)33/h16H,4-15H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
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PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177345
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C22H31F3N6O/c1-16-7-10-31(20(32)26-16)9-6-5-8-29-11-13-30(14-12-29)18-15-17(22(23,24)25)27-19(28-18)21(2,3)4/h7,10,15H,5-6,8-9,11-14H2,1-4H3 | PDB
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antibodypedia
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177351
(4-(azetidin-1-yl)-1-(4-(4-(2-tert-butyl-6-(trifluo...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)N2CCC2)CC1 Show InChI InChI=1S/C24H34F3N7O/c1-23(2,3)21-28-18(24(25,26)27)17-20(29-21)33-15-13-31(14-16-33)8-4-5-9-34-12-7-19(30-22(34)35)32-10-6-11-32/h7,12,17H,4-6,8-11,13-16H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176452
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES COc1cc2N(CCCCN3CCN(CC3)c3cc(nc(n3)C(C)(C)C)C(F)(F)F)C(=O)CCC(=O)c2cc1OC Show InChI InChI=1S/C29H38F3N5O4/c1-28(2,3)27-33-24(29(30,31)32)18-25(34-27)36-14-12-35(13-15-36)10-6-7-11-37-20-17-23(41-5)22(40-4)16-19(20)21(38)8-9-26(37)39/h16-18H,6-15H2,1-5H3 | PDB
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177346
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)C2CCCCC2)CC1 Show InChI InChI=1S/C27H39F3N6O/c1-26(2,3)24-32-22(27(28,29)30)19-23(33-24)35-17-15-34(16-18-35)12-7-8-13-36-14-11-21(31-25(36)37)20-9-5-4-6-10-20/h11,14,19-20H,4-10,12-13,15-18H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177359
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(C#N)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C22H28F3N7O2/c1-21(2,3)19-27-16(22(23,24)25)12-17(28-19)31-10-8-30(9-11-31)6-4-5-7-32-14-15(13-26)18(33)29-20(32)34/h12,14H,4-11H2,1-3H3,(H,29,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
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PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50071234
(Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-pyrazo...)Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(3.7,2.11,;2.35,2.88,;1.03,2.11,;-.31,2.86,;-1.64,2.07,;-2.97,2.84,;-4.32,2.07,;-1.64,.53,;-2.97,-.24,;-2.97,-1.78,;-4.29,-2.55,;-1.63,-2.53,;-.29,-1.76,;1.19,-2.22,;2.06,-.96,;3.6,-.94,;1.15,.28,;-.31,-.22,;1.68,-3.67,;.65,-4.82,;1.13,-6.29,;2.64,-6.59,;3.15,-8.05,;3.67,-5.42,;3.18,-3.96,;4.18,-2.8,)| Show InChI InChI=1S/C20H24Cl2N4/c1-5-7-10-25(6-2)18-11-13(3)23-20-19(14(4)24-26(18)20)16-9-8-15(21)12-17(16)22/h8-9,11-12H,5-7,10H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 8: 2067-70 (1999)
BindingDB Entry DOI: 10.7270/Q2125RTC |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177348
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(c(=O)[nH]c2=O)C(F)(F)F)CC1 Show InChI InChI=1S/C22H28F6N6O2/c1-20(2,3)18-29-15(22(26,27)28)12-16(30-18)33-10-8-32(9-11-33)6-4-5-7-34-13-14(21(23,24)25)17(35)31-19(34)36/h12-13H,4-11H2,1-3H3,(H,31,35,36) | PDB
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86035
(BAY 38-7271 | KN 38-7271)Show SMILES OCC1=Cc2c(C1)c(Oc1cccc(OS(=O)(=O)CCCC(F)(F)F)c1)ccc2O |t:2| Show InChI InChI=1S/C20H19F3O6S/c21-20(22,23)7-2-8-30(26,27)29-15-4-1-3-14(11-15)28-19-6-5-18(25)16-9-13(12-24)10-17(16)19/h1,3-6,9,11,24-25H,2,7-8,10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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PubMed
| 5.96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 359-68 (2002)
Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50071238
(3-(2,4-Dichloro-phenyl)-2,5-dimethyl-7-(2-propyl-p...)Show SMILES CCCC1CCCCN1c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(11.28,.47,;9.94,1.24,;8.62,.47,;7.28,1.24,;7.28,2.78,;5.94,3.56,;4.61,2.78,;4.61,1.24,;5.94,.45,;5.94,-1.09,;4.61,-1.86,;4.61,-3.41,;3.28,-4.18,;5.94,-4.18,;7.27,-3.41,;8.75,-3.89,;9.68,-2.63,;11.21,-2.63,;8.75,-1.36,;7.27,-1.86,;9.23,-5.35,;10.73,-5.65,;11.21,-7.11,;10.19,-8.27,;10.65,-9.72,;8.68,-7.95,;8.2,-6.48,;6.7,-6.15,)| Show InChI InChI=1S/C22H26Cl2N4/c1-4-7-17-8-5-6-11-27(17)20-12-14(2)25-22-21(15(3)26-28(20)22)18-10-9-16(23)13-19(18)24/h9-10,12-13,17H,4-8,11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 8: 2067-70 (1999)
BindingDB Entry DOI: 10.7270/Q2125RTC |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177358
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CCOc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C23H33F3N6O2/c1-5-34-19-8-11-32(21(33)29-19)10-7-6-9-30-12-14-31(15-13-30)18-16-17(23(24,25)26)27-20(28-18)22(2,3)4/h8,11,16H,5-7,9-10,12-15H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177355
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)C2CCC2)CC1 Show InChI InChI=1S/C25H35F3N6O/c1-24(2,3)22-30-20(25(26,27)28)17-21(31-22)33-15-13-32(14-16-33)10-4-5-11-34-12-9-19(29-23(34)35)18-7-6-8-18/h9,12,17-18H,4-8,10-11,13-16H2,1-3H3 | PDB
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UniChem
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PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176447
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(C\C=C\CN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C26H32F3N5O/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-16-14-32(15-17-33)12-6-7-13-34-20-9-5-4-8-19(20)10-11-23(34)35/h4-9,18H,10-17H2,1-3H3/b7-6+ | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
Similars
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PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176454
(5-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3SCCC2=O)CC1 Show InChI InChI=1S/C26H34F3N5OS/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-15-13-32(14-16-33)11-6-7-12-34-19-8-4-5-9-20(19)36-17-10-23(34)35/h4-5,8-9,18H,6-7,10-17H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176450
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES COc1cccc2N(CCCCN3CCN(CC3)c3cc(nc(n3)C(C)(C)C)C(F)(F)F)C(=O)CCCc12 Show InChI InChI=1S/C28H38F3N5O2/c1-27(2,3)26-32-23(28(29,30)31)19-24(33-26)35-17-15-34(16-18-35)13-5-6-14-36-21-10-8-11-22(38-4)20(21)9-7-12-25(36)37/h8,10-11,19H,5-7,9,12-18H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
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Similars
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PubMed
| 10.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177360
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n(C)c1=O Show InChI InChI=1S/C23H33F3N6O2/c1-16-15-32(21(34)29(5)19(16)33)9-7-6-8-30-10-12-31(13-11-30)18-14-17(23(24,25)26)27-20(28-18)22(2,3)4/h14-15H,6-13H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50071229
(CHEMBL302645 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...)Show SMILES CCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.35,2.01,;7.38,.47,;6.03,-.32,;4.69,.45,;4.69,1.99,;3.34,2.76,;3.34,4.31,;6.03,-1.86,;4.69,-2.63,;4.69,-4.18,;3.37,-4.94,;6.03,-4.94,;7.35,-4.18,;8.82,-4.66,;9.75,-3.4,;11.29,-3.4,;8.82,-2.13,;7.35,-2.63,;9.3,-6.12,;10.81,-6.42,;11.29,-7.88,;10.26,-9.04,;10.74,-10.49,;8.76,-8.71,;8.28,-7.25,;6.77,-6.92,)| Show InChI InChI=1S/C19H22Cl2N4O/c1-5-24(8-9-26-4)17-10-12(2)22-19-18(13(3)23-25(17)19)15-7-6-14(20)11-16(15)21/h6-7,10-11H,5,8-9H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
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PC sid
UniChem
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 8: 2067-70 (1999)
BindingDB Entry DOI: 10.7270/Q2125RTC |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176441
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2c3ccccc3ccc2=O)CC1 Show InChI InChI=1S/C26H32F3N5O/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-16-14-32(15-17-33)12-6-7-13-34-20-9-5-4-8-19(20)10-11-23(34)35/h4-5,8-11,18H,6-7,12-17H2,1-3H3 | PDB
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| 11.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
NCI pathway
Reactome pathway
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PubMed
| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 359-68 (2002)
Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177352
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cn1c(=O)ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O Show InChI InChI=1S/C22H31F3N6O2/c1-21(2,3)19-26-16(22(23,24)25)15-17(27-19)30-13-11-29(12-14-30)8-5-6-9-31-10-7-18(32)28(4)20(31)33/h7,10,15H,5-6,8-9,11-14H2,1-4H3 | PDB
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PubMed
| 11.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176448
(4-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2C(=O)COc3ccccc23)CC1 Show InChI InChI=1S/C25H32F3N5O2/c1-24(2,3)23-29-20(25(26,27)28)16-21(30-23)32-14-12-31(13-15-32)10-6-7-11-33-18-8-4-5-9-19(18)35-17-22(33)34/h4-5,8-9,16H,6-7,10-15,17H2,1-3H3 | PDB
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| Article
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| 12.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177361
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cccnc2=O)CC1 Show InChI InChI=1S/C21H29F3N6O/c1-20(2,3)18-26-16(21(22,23)24)15-17(27-18)29-13-11-28(12-14-29)8-4-5-9-30-10-6-7-25-19(30)31/h6-7,10,15H,4-5,8-9,11-14H2,1-3H3 | PDB
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PubMed
| 12.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50071233
(Butyl-[3-(2-chloro-phenyl)-2,5-dimethyl-pyrazolo[1...)Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccccc1Cl |(8.21,3.42,;8.21,1.88,;6.89,1.11,;6.89,-.43,;5.55,-1.22,;4.23,-.45,;4.23,1.09,;5.55,-2.76,;4.23,-3.52,;4.23,-5.07,;2.89,-5.84,;5.55,-5.84,;6.89,-5.07,;8.36,-5.55,;9.29,-4.29,;10.81,-4.29,;8.36,-3.02,;6.89,-3.52,;8.84,-7.02,;7.82,-8.15,;8.3,-9.61,;9.81,-9.93,;10.83,-8.78,;10.35,-7.32,;11.38,-6.16,)| Show InChI InChI=1S/C20H25ClN4/c1-5-7-12-24(6-2)18-13-14(3)22-20-19(15(4)23-25(18)20)16-10-8-9-11-17(16)21/h8-11,13H,5-7,12H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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UniChem
Similars
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 8: 2067-70 (1999)
BindingDB Entry DOI: 10.7270/Q2125RTC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50000729
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |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 | PDB
NCI pathway
Reactome pathway
KEGG
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| Article
PubMed
| 15.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 359-68 (2002)
Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176439
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3CCCC2=O)CC1 Show InChI InChI=1S/C27H36F3N5O/c1-26(2,3)25-31-22(27(28,29)30)19-23(32-25)34-17-15-33(16-18-34)13-6-7-14-35-21-11-5-4-9-20(21)10-8-12-24(35)36/h4-5,9,11,19H,6-8,10,12-18H2,1-3H3 | PDB
UniProtKB/SwissProt
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PubMed
| 16.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176438
((S)-1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrim...)Show SMILES C[C@@H](CCCN1C(=O)CCc2ccccc12)N1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C27H36F3N5O/c1-19(8-7-13-35-21-10-6-5-9-20(21)11-12-24(35)36)33-14-16-34(17-15-33)23-18-22(27(28,29)30)31-25(32-23)26(2,3)4/h5-6,9-10,18-19H,7-8,11-17H2,1-4H3/t19-/m0/s1 | PDB
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PubMed
| 22.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50000729
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |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 | PDB
Reactome pathway
KEGG
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| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 359-68 (2002)
Article DOI: 10.1124/jpet.302.1.359
BindingDB Entry DOI: 10.7270/Q2DZ06VP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176442
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2c3ccccc3c(O)cc2=O)CC1 Show InChI InChI=1S/C26H32F3N5O2/c1-25(2,3)24-30-21(26(27,28)29)17-22(31-24)33-14-12-32(13-15-33)10-6-7-11-34-19-9-5-4-8-18(19)20(35)16-23(34)36/h4-5,8-9,16-17,35H,6-7,10-15H2,1-3H3 | PDB
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| 39.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50071226
(Butyl-[3-(2,4-dichloro-phenyl)-5-methyl-pyrazolo[1...)Show InChI InChI=1S/C19H22Cl2N4/c1-4-6-9-24(5-2)18-10-13(3)23-19-16(12-22-25(18)19)15-8-7-14(20)11-17(15)21/h7-8,10-12H,4-6,9H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 8: 2067-70 (1999)
BindingDB Entry DOI: 10.7270/Q2125RTC |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50071232
(3-(2,4-Dichloro-phenyl)-2,5-dimethyl-7-piperidin-1...)Show SMILES Cc1nn2c(cc(C)nc2c1-c1ccc(Cl)cc1Cl)N1CCCCC1 |(11.25,-2.63,;9.71,-2.63,;8.78,-1.36,;7.31,-1.86,;5.97,-1.09,;4.65,-1.86,;4.65,-3.41,;3.31,-4.18,;5.97,-4.18,;7.31,-3.41,;8.78,-3.89,;9.26,-5.35,;10.77,-5.65,;11.25,-7.11,;10.22,-8.27,;10.68,-9.72,;8.71,-7.95,;8.23,-6.48,;6.73,-6.15,;5.97,.45,;7.32,1.24,;7.32,2.78,;5.99,3.56,;4.65,2.78,;4.65,1.24,)| Show InChI InChI=1S/C19H20Cl2N4/c1-12-10-17(24-8-4-3-5-9-24)25-19(22-12)18(13(2)23-25)15-7-6-14(20)11-16(15)21/h6-7,10-11H,3-5,8-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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UniChem
Similars
| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 8: 2067-70 (1999)
BindingDB Entry DOI: 10.7270/Q2125RTC |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50058163
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 8: 2067-70 (1999)
BindingDB Entry DOI: 10.7270/Q2125RTC |
More data for this
Ligand-Target Pair | |
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