Found 4536 hits with Last Name = 'baum' and Initial = 'a' 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 |
|---|
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 0.830 | -48.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97464
(US8470800, A | US8609833, 17)Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| US Patent
| 0.970 | -47.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97468
(US8470800, E)Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C16H22N6O6/c23-12-10(6-27-22(25)26)28-16(13(12)24)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,23-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.32 | -47.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97470
(US8470800, G)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COS(=O)(=O)O[Na])n1cnc2c(NC3CCCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H22ClN5O7S.Na/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(24)11(23)9(29-15)6-28-30(25,26)27;/h7-9,11-12,15,23-24H,1-6H2,(H,19,20,21)(H,25,26,27);/q;+1/p-1/t9-,11-,12-,15-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.36 | -47.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97469
(US8470800, F)Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r| Show InChI InChI=1S/C17H22N6O6/c24-13-11(5-28-23(26)27)29-17(14(13)25)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.47 | -46.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM50585913
(CHEMBL5093295) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11123
((2S)-1-[(2S)-2-amino-3-[4-(2,4-difluorophenyl)phen...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H19F2N3O/c21-15-7-8-17(18(22)11-15)14-5-3-13(4-6-14)10-19(24)20(26)25-9-1-2-16(25)12-23/h3-8,11,16,19H,1-2,9-10,24H2/t16-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | -49.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156939
(CHEMBL3793137)Show SMILES Clc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 |r| Show InChI InChI=1S/C20H21ClN2O2/c21-16-6-7-19-15(11-22-20(19)10-16)12-23-8-9-24-18(13-23)14-25-17-4-2-1-3-5-17/h1-7,10-11,18,22H,8-9,12-14H2/t18-/m0/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50318372
((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-meth...)Show InChI InChI=1S/C14H14N2O/c1-17-16-14-7-4-5-12(11-14)8-9-13-6-2-3-10-15-13/h2-3,6,10-11H,4-5,7H2,1H3/b16-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ETH Zurich
Curated by ChEMBL
| Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting |
J Med Chem 53: 4009-17 (2010)
Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
Reactome pathway
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PDB
UniChem
Patents
Similars
| US Patent
| 2.30 | -45.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM50585914
(CHEMBL5079273) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97465
(US8470800, B | US8609833, 85)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H19ClN6O6/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(28-14)5-27-22(25)26/h6-8,10-11,14,23-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.63 | -45.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11121
((2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]p...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H20FN3O/c21-17-9-7-16(8-10-17)15-5-3-14(4-6-15)12-19(23)20(25)24-11-1-2-18(24)13-22/h3-10,18-19H,1-2,11-12,23H2/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | -48.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM50585912
(CHEMBL5075486)Show SMILES Clc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)c2ncccc12 |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156813
(CHEMBL3792751)Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1 |r| Show InChI InChI=1S/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50318382
(3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...)Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ETH Zurich
Curated by ChEMBL
| Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting |
J Med Chem 53: 4009-17 (2010)
Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM50585909
(CHEMBL5089996) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50318375
((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-3-fl...)Show SMILES Fc1cccnc1O\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:14| Show InChI InChI=1S/C18H14FN3O/c19-17-8-4-12-21-18(17)23-22-16-7-3-5-14(13-16)9-10-15-6-1-2-11-20-15/h1-2,4,6,8,11-13H,3,5,7H2/b22-16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ETH Zurich
Curated by ChEMBL
| Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting |
J Med Chem 53: 4009-17 (2010)
Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97466
(US8470800, C)Show SMILES O[C@@H]1[C@@H](COS(=O)(=O)O[Na])O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C15H21N5O7S.Na/c21-11-9(5-26-28(23,24)25)27-15(12(11)22)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8;/h6-9,11-12,15,21-22H,1-5H2,(H,16,17,19)(H,23,24,25);/q;+1/p-1/t9-,11-,12-,15-;/m1./s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.05 | -44.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50198702
((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...)Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+ | PDB
MMDB
Reactome pathway
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ETH Zurich
Curated by ChEMBL
| Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting |
J Med Chem 53: 4009-17 (2010)
Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50257064
(CHEMBL2386850)Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23) | PDB
MMDB
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| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGlu5 receptor expressed in HEK293A cell membranes after 1 hr by scintillatio... |
J Med Chem 60: 5072-5085 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156933
(CHEMBL3793782)Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 |r| Show InChI InChI=1S/C20H21FN2O2/c21-16-6-7-19-15(11-22-20(19)10-16)12-23-8-9-24-18(13-23)14-25-17-4-2-1-3-5-17/h1-7,10-11,18,22H,8-9,12-14H2/t18-/m0/s1 | PDB
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PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11122
((2S)-1-[(2S)-2-amino-3-[4-(2-fluorophenyl)phenyl]p...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1F)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H20FN3O/c21-18-6-2-1-5-17(18)15-9-7-14(8-10-15)12-19(23)20(25)24-11-3-4-16(24)13-22/h1-2,5-10,16,19H,3-4,11-12,23H2/t16-,19-/m0/s1 | PDB
MMDB
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 5.30 | -47.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156935
(CHEMBL3792805)Show SMILES COc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 |r| Show InChI InChI=1S/C21H24N2O3/c1-24-18-7-8-20-16(12-22-21(20)11-18)13-23-9-10-25-19(14-23)15-26-17-5-3-2-4-6-17/h2-8,11-12,19,22H,9-10,13-15H2,1H3/t19-/m0/s1 | PDB
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| Article
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50318381
((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-(3-f...)Show InChI InChI=1S/C17H19FN2O2/c18-10-4-12-21-14-22-20-17-7-3-5-15(13-17)8-9-16-6-1-2-11-19-16/h1-2,6,11,13H,3-5,7,10,12,14H2/b20-17+ | PDB
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| 5.42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ETH Zurich
Curated by ChEMBL
| Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting |
J Med Chem 53: 4009-17 (2010)
Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50323923
((E)-3-((2-(Fluoromethyl)thiazol-4-yl)ethynyl)cyclo...)Show InChI InChI=1S/C13H13FN2OS/c1-17-16-11-4-2-3-10(7-11)5-6-12-9-18-13(8-14)15-12/h7,9H,2-4,8H2,1H3/b16-11+ | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ETH Zurich (Swiss Federal Institute of Technology)
Curated by ChEMBL
| Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebellum membranes after 45 mins by liquid scintillation counting |
Bioorg Med Chem 18: 6044-54 (2010)
Article DOI: 10.1016/j.bmc.2010.06.070
BindingDB Entry DOI: 10.7270/Q2862GMS |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM50585910
(CHEMBL5094012)Show SMILES Clc1ccc(CNC[C@@H]2CN(C3CC3)C(=O)C2)c2ncccc12 |r| | PDB
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| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM50585911
(CHEMBL5093969) | PDB
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| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50442525
(CHEMBL2440659 | US8796295, Table 2: Compound: 1)Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21) | PDB
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CHEMBL
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UniChem
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| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor allosteric binding site (unknown origin) |
Bioorg Med Chem Lett 23: 5779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.001
BindingDB Entry DOI: 10.7270/Q2X92CSQ |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156929
(CHEMBL3794079)Show InChI InChI=1S/C20H25NOS/c1-16-8-9-18(12-17(16)2)13-21-10-11-22-19(14-21)15-23-20-6-4-3-5-7-20/h3-9,12,19H,10-11,13-15H2,1-2H3/t19-/m0/s1 | PDB
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| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97471
(US8470800, H)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H21ClN6O6/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(25)11(24)9(29-15)6-28-23(26)27/h7-9,11-12,15,24-25H,1-6H2,(H,19,20,21)/t9-,11-,12-,15-/m1/s1 | PDB
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| US Patent
| 8 | -43.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50318380
((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-(2-f...)Show InChI InChI=1S/C16H17FN2O2/c17-9-11-20-13-21-19-16-6-3-4-14(12-16)7-8-15-5-1-2-10-18-15/h1-2,5,10,12H,3-4,6,9,11,13H2/b19-16+ | PDB
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UniChem
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PubMed
| 8.41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ETH Zurich
Curated by ChEMBL
| Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting |
J Med Chem 53: 4009-17 (2010)
Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50318374
((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-6-fl...)Show SMILES Fc1cccc(O\N=C2/CCCC(=C2)C#Cc2ccccn2)n1 |c:12| Show InChI InChI=1S/C18H14FN3O/c19-17-8-4-9-18(21-17)23-22-16-7-3-5-14(13-16)10-11-15-6-1-2-12-20-15/h1-2,4,6,8-9,12-13H,3,5,7H2/b22-16+ | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| 9.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ETH Zurich
Curated by ChEMBL
| Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting |
J Med Chem 53: 4009-17 (2010)
Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156814
(CHEMBL3792731)Show InChI InChI=1S/C18H20ClNOS/c19-16-8-6-15(7-9-16)12-20-10-11-21-17(13-20)14-22-18-4-2-1-3-5-18/h1-9,17H,10-14H2/t17-/m0/s1 | PDB
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UniChem
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PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156963
(CHEMBL3794199)Show SMILES Fc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1 |r| Show InChI InChI=1S/C18H19ClFNO2/c19-15-3-1-14(2-4-15)11-21-9-10-22-18(12-21)13-23-17-7-5-16(20)6-8-17/h1-8,18H,9-13H2/t18-/m0/s1 | PDB
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156966
(CHEMBL3792803)Show SMILES COc1cc(CN2CCO[C@H](COc3cccc(F)c3)C2)ccc1Cl |r| Show InChI InChI=1S/C19H21ClFNO3/c1-23-19-9-14(5-6-18(19)20)11-22-7-8-24-17(12-22)13-25-16-4-2-3-15(21)10-16/h2-6,9-10,17H,7-8,11-13H2,1H3/t17-/m0/s1 | PDB
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156948
(CHEMBL3792438)Show SMILES COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl |r| Show InChI InChI=1S/C19H22ClNO3/c1-22-19-8-7-15(11-18(19)20)12-21-9-10-23-17(13-21)14-24-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97467
(US8470800, D | US8609833, 93)Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C14H18N6O7/c21-10-8(4-26-20(23)24)27-14(11(10)22)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-25-3-7/h5-8,10-11,14,21-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14-/m1/s1 | PDB
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| US Patent
| 10.6 | -42.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156965
(CHEMBL3793612)Show SMILES COc1ccc(CN2CCO[C@H](COc3cccc(F)c3)C2)cc1Cl |r| Show InChI InChI=1S/C19H21ClFNO3/c1-23-19-6-5-14(9-18(19)20)11-22-7-8-24-17(12-22)13-25-16-4-2-3-15(21)10-16/h2-6,9-10,17H,7-8,11-13H2,1H3/t17-/m0/s1 | PDB
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| Article
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156949
(CHEMBL3794529)Show InChI InChI=1S/C19H22FNO3/c1-22-19-11-15(7-8-18(19)20)12-21-9-10-23-17(13-21)14-24-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1 | PDB
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156947
(CHEMBL3793389)Show SMILES COc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1Cl |r| Show InChI InChI=1S/C19H22ClNO3/c1-22-19-11-15(7-8-18(19)20)12-21-9-10-23-17(13-21)14-24-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156960
(CHEMBL3792923)Show InChI InChI=1S/C20H25NO2/c1-16-8-9-18(12-17(16)2)13-21-10-11-22-20(14-21)15-23-19-6-4-3-5-7-19/h3-9,12,20H,10-11,13-15H2,1-2H3/t20-/m0/s1 | PDB
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156964
(CHEMBL3793375)Show SMILES COc1ccc(CN2CCO[C@H](COc3ccc(F)cc3)C2)cc1 |r| Show InChI InChI=1S/C19H22FNO3/c1-22-17-6-2-15(3-7-17)12-21-10-11-23-19(13-21)14-24-18-8-4-16(20)5-9-18/h2-9,19H,10-14H2,1H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11118
((2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]p...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H21N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-13,22H2/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | -45.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156950
(CHEMBL3793910)Show InChI InChI=1S/C19H22FNO3/c1-22-19-8-7-15(11-18(19)20)12-21-9-10-23-17(13-21)14-24-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156941
(CHEMBL3793438)Show SMILES C(Oc1ccccc1)[C@@H]1CN(Cc2ccc3[nH]ccc3c2)CCO1 |r| Show InChI InChI=1S/C20H22N2O2/c1-2-4-18(5-3-1)24-15-19-14-22(10-11-23-19)13-16-6-7-20-17(12-16)8-9-21-20/h1-9,12,19,21H,10-11,13-15H2/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156926
(CHEMBL3792638)Show InChI InChI=1S/C19H23NO2S/c1-23-19-9-7-16(8-10-19)13-20-11-12-21-18(14-20)15-22-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156952
(CHEMBL3792728)Show SMILES Fc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1C(F)(F)F |r| Show InChI InChI=1S/C19H19F4NO2/c20-18-10-14(6-7-17(18)19(21,22)23)11-24-8-9-25-16(12-24)13-26-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156958
(CHEMBL3792556)Show SMILES C(Oc1ccccc1)[C@@H]1CN(Cc2ccc3ccccc3c2)CCO1 |r| Show InChI InChI=1S/C22H23NO2/c1-2-8-21(9-3-1)25-17-22-16-23(12-13-24-22)15-18-10-11-19-6-4-5-7-20(19)14-18/h1-11,14,22H,12-13,15-17H2/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50156946
(CHEMBL3793996)Show SMILES C(Oc1ccccc1)[C@@H]1CN(Cc2n[nH]c3ccccc23)CCO1 |r| Show InChI InChI=1S/C19H21N3O2/c1-2-6-15(7-3-1)24-14-16-12-22(10-11-23-16)13-19-17-8-4-5-9-18(17)20-21-19/h1-9,16H,10-14H2,(H,20,21)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 26: 2481-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M |
More data for this
Ligand-Target Pair | |
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