Found 474 hits with Last Name = 'sykes' and Initial = 'da' 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 |
|---|
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530705
(CHEMBL4451384)Show SMILES [H][C@]12CC[C@]([H])(CC(O)(C1)c1ccc(Cl)cc1)N2CCCC(=O)c1ccc(F)cc1 |r,TLB:18:17:2.3:6.7.9| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2/t20-,21+,23? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0525 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530705
(CHEMBL4451384)Show SMILES [H][C@]12CC[C@]([H])(CC(O)(C1)c1ccc(Cl)cc1)N2CCCC(=O)c1ccc(F)cc1 |r,TLB:18:17:2.3:6.7.9| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2/t20-,21+,23? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0525 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50411339
(CHEMBL227276)Show SMILES O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 |t:4| Show InChI InChI=1S/C31H34N6O5/c38-26(20-9-4-5-10-20)18-36-25-16-7-6-15-24(25)28(21-11-2-1-3-12-21)34-37(31(36)41)19-27(39)32-23-14-8-13-22(17-23)29-33-30(40)42-35-29/h6-8,13-17,20-21H,1-5,9-12,18-19H2,(H,32,39)(H,33,35,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530680
(CHEMBL4570273)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-4-1-3-17(20(18)23)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530680
(CHEMBL4570273)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-4-1-3-17(20(18)23)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50056102
((R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridi...)Show SMILES CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:12| Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530700
(CHEMBL4544491)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-8-5-16(14-19(18)23)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530700
(CHEMBL4544491)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-8-5-16(14-19(18)23)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530676
(CHEMBL4528835)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC2C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClFNO/c23-19-7-5-17(6-8-19)22-11-13-25(15-18(22)14-22)12-1-2-21(26)16-3-9-20(24)10-4-16/h3-10,18H,1-2,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530676
(CHEMBL4528835)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC2C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClFNO/c23-19-7-5-17(6-8-19)22-11-13-25(15-18(22)14-22)12-1-2-21(26)16-3-9-20(24)10-4-16/h3-10,18H,1-2,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50411341
(CHEMBL226583)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C30H34N6O5/c1-30(2,3)24(37)17-35-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)33-36(29(35)40)18-25(38)31-21-13-9-12-20(16-21)27-32-28(39)41-34-27/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,31,38)(H,32,34,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50002875
(CHEMBL388144)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2ccc(o2)C(O)=O)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C33H36N4O6/c1-33(2,3)28(38)19-36-25-15-8-7-14-24(25)30(21-10-5-4-6-11-21)35-37(32(36)42)20-29(39)34-23-13-9-12-22(18-23)26-16-17-27(43-26)31(40)41/h7-9,12-18,21H,4-6,10-11,19-20H2,1-3H3,(H,34,39)(H,40,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50411340
(CHEMBL387948)Show SMILES OC(=O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:14| Show InChI InChI=1S/C31H36N4O5/c36-27(22-10-4-5-11-22)19-34-26-16-7-6-15-25(26)30(23-12-2-1-3-13-23)33-35(31(34)40)20-28(37)32-24-14-8-9-21(17-24)18-29(38)39/h6-9,14-17,22-23H,1-5,10-13,18-20H2,(H,32,37)(H,38,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50411344
(CHEMBL389711)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3ccn(CC(O)=O)c3c2)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C32H37N5O5/c1-32(2,3)27(38)18-36-25-12-8-7-11-24(25)30(22-9-5-4-6-10-22)34-37(31(36)42)19-28(39)33-23-14-13-21-15-16-35(20-29(40)41)26(21)17-23/h7-8,11-17,22H,4-6,9-10,18-20H2,1-3H3,(H,33,39)(H,40,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530683
(CHEMBL4436610)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO2/c23-19-9-3-16(4-10-19)20(28)2-1-13-27-14-11-21(29,12-15-27)17-5-7-18(8-6-17)22(24,25)26/h3-10,29H,1-2,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530683
(CHEMBL4436610)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO2/c23-19-9-3-16(4-10-19)20(28)2-1-13-27-14-11-21(29,12-15-27)17-5-7-18(8-6-17)22(24,25)26/h3-10,29H,1-2,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50411342
(CHEMBL227333)Show SMILES OC(=O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:15| Show InChI InChI=1S/C31H36N4O5S/c36-27(21-9-4-5-10-21)18-34-26-16-7-6-15-25(26)30(22-11-2-1-3-12-22)33-35(31(34)40)19-28(37)32-23-13-8-14-24(17-23)41-20-29(38)39/h6-8,13-17,21-22H,1-5,9-12,18-20H2,(H,32,37)(H,38,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50411336
(CHEMBL227330)Show SMILES OC(=O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:15| Show InChI InChI=1S/C32H38N4O5/c37-28(23-10-4-5-11-23)20-35-27-16-7-6-15-26(27)31(24-12-2-1-3-13-24)34-36(32(35)41)21-29(38)33-25-14-8-9-22(19-25)17-18-30(39)40/h6-9,14-16,19,23-24H,1-5,10-13,17-18,20-21H2,(H,33,38)(H,39,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50002880
(CHEMBL437736)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nc(co2)C(O)=O)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C32H35N5O6/c1-32(2,3)26(38)17-36-25-15-8-7-14-23(25)28(20-10-5-4-6-11-20)35-37(31(36)42)18-27(39)33-22-13-9-12-21(16-22)29-34-24(19-43-29)30(40)41/h7-9,12-16,19-20H,4-6,10-11,17-18H2,1-3H3,(H,33,39)(H,40,41) | PDB
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PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530682
(CHEMBL4436241)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-12-16(13-18(23)14-17)21(27)7-10-25(11-8-21)9-1-2-20(26)15-3-5-19(24)6-4-15/h3-6,12-14,27H,1-2,7-11H2 | PDB
Reactome pathway
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UniChem
| Article
PubMed
| 0.447 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530682
(CHEMBL4436241)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-12-16(13-18(23)14-17)21(27)7-10-25(11-8-21)9-1-2-20(26)15-3-5-19(24)6-4-15/h3-6,12-14,27H,1-2,7-11H2 | PDB
Reactome pathway
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UniChem
| Article
PubMed
| 0.447 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| DrugBank
Article
PubMed
| 0.468 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| DrugBank
Article
PubMed
| 0.468 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421329
(CHEMBL2088201)Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1 | PDB
MMDB
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PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50411345
(CHEMBL389639)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(SCC(O)=O)c2)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C30H36N4O5S/c1-30(2,3)25(35)17-33-24-15-8-7-14-23(24)28(20-10-5-4-6-11-20)32-34(29(33)39)18-26(36)31-21-12-9-13-22(16-21)40-19-27(37)38/h7-9,12-16,20H,4-6,10-11,17-19H2,1-3H3,(H,31,36)(H,37,38) | PDB
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PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50002878
(CHEMBL227275)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2csc(n2)C(O)=O)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C32H35N5O5S/c1-32(2,3)26(38)17-36-25-15-8-7-14-23(25)28(20-10-5-4-6-11-20)35-37(31(36)42)18-27(39)33-22-13-9-12-21(16-22)24-19-43-29(34-24)30(40)41/h7-9,12-16,19-20H,4-6,10-11,17-18H2,1-3H3,(H,33,39)(H,40,41) | PDB
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UniChem
| Article
PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50002876
(CHEMBL435143)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(SCc3nn[nH]n3)c2)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C30H36N8O3S/c1-30(2,3)25(39)17-37-24-15-8-7-14-23(24)28(20-10-5-4-6-11-20)34-38(29(37)41)18-27(40)31-21-12-9-13-22(16-21)42-19-26-32-35-36-33-26/h7-9,12-16,20H,4-6,10-11,17-19H2,1-3H3,(H,31,40)(H,32,33,35,36) | PDB
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| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM81486
(CAS_1050-79-9 | MOPERONE | NSC_4249)Show SMILES Cc1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3 | PDB
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PubMed
| 0.724 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM81486
(CAS_1050-79-9 | MOPERONE | NSC_4249)Show SMILES Cc1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3 | PDB
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| Article
PubMed
| 0.724 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50002889
(CHEMBL438843)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3n(CC(O)=O)ccc3c2)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C32H37N5O5/c1-32(2,3)27(38)18-36-26-12-8-7-11-24(26)30(21-9-5-4-6-10-21)34-37(31(36)42)19-28(39)33-23-13-14-25-22(17-23)15-16-35(25)20-29(40)41/h7-8,11-17,21H,4-6,9-10,18-20H2,1-3H3,(H,33,39)(H,40,41) | PDB
Reactome pathway
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| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50002902
(CHEMBL226622)Show SMILES OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCCC3)C2=O)c1 |t:13| Show InChI InChI=1S/C31H36N4O5/c36-27(21-10-3-1-4-11-21)19-34-26-17-8-7-16-25(26)29(22-12-5-2-6-13-22)33-35(31(34)40)20-28(37)32-24-15-9-14-23(18-24)30(38)39/h7-9,14-18,21-22H,1-6,10-13,19-20H2,(H,32,37)(H,38,39) | PDB
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PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50002888
(CHEMBL389713)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3cnn(CC(O)=O)c3c2)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C31H36N6O5/c1-31(2,3)26(38)17-35-24-12-8-7-11-23(24)29(20-9-5-4-6-10-20)34-37(30(35)42)18-27(39)33-22-14-13-21-16-32-36(19-28(40)41)25(21)15-22/h7-8,11-16,20H,4-6,9-10,17-19H2,1-3H3,(H,33,39)(H,40,41) | PDB
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| Article
PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50002872
(CHEMBL437930)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2cccn2CC(O)=O)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C34H39N5O5/c1-34(2,3)29(40)20-38-28-16-8-7-15-26(28)32(23-11-5-4-6-12-23)36-39(33(38)44)21-30(41)35-25-14-9-13-24(19-25)27-17-10-18-37(27)22-31(42)43/h7-10,13-19,23H,4-6,11-12,20-22H2,1-3H3,(H,35,41)(H,42,43) | PDB
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PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50002926
(CHEMBL244325)Show SMILES Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(N=C2C1CCCCC1)C1CCc2ccccc2CC1 |c:28| Show InChI InChI=1S/C37H42N6O/c1-26-11-20-33-34(25-26)42(31-18-14-30(15-19-31)38-22-21-35-39-23-24-40-35)37(44)43(41-36(33)29-9-3-2-4-10-29)32-16-12-27-7-5-6-8-28(27)13-17-32/h5-8,11,14-15,18-20,23-25,29,32,38H,2-4,9-10,12-13,16-17,21-22H2,1H3,(H,39,40) | PDB
MMDB
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| Article
PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells |
J Med Chem 50: 4789-92 (2007)
Checked by Author
Article DOI: 10.1021/jm0707626
BindingDB Entry DOI: 10.7270/Q2Z039C3 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530709
(CHEMBL4455788)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-4-1-3-17(15-18)21(26)10-13-24(14-11-21)12-2-5-20(25)16-6-8-19(23)9-7-16/h1,3-4,6-9,15,26H,2,5,10-14H2 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50411347
(CHEMBL226620)Show SMILES OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:13| Show InChI InChI=1S/C30H34N4O5/c35-26(20-9-4-5-10-20)18-33-25-16-7-6-15-24(25)28(21-11-2-1-3-12-21)32-34(30(33)39)19-27(36)31-23-14-8-13-22(17-23)29(37)38/h6-8,13-17,20-21H,1-5,9-12,18-19H2,(H,31,36)(H,37,38) | PDB
Reactome pathway
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PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50411348
(CHEMBL226533)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nnn[nH]2)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C29H34N8O3/c1-29(2,3)24(38)17-36-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)33-37(28(36)40)18-25(39)30-21-13-9-12-20(16-21)27-31-34-35-32-27/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,30,39)(H,31,32,34,35) | PDB
Reactome pathway
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PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530681
(CHEMBL4529368)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-16-5-8-19(23)18(14-16)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2 | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530681
(CHEMBL4529368)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-16-5-8-19(23)18(14-16)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2 | PDB
Reactome pathway
KEGG
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530709
(CHEMBL4455788)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-4-1-3-17(15-18)21(26)10-13-24(14-11-21)12-2-5-20(25)16-6-8-19(23)9-7-16/h1,3-4,6-9,15,26H,2,5,10-14H2 | PDB
Reactome pathway
KEGG
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50362868
(CHEMBL1940404)Show InChI InChI=1S/C20H23ClFNO2/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2 | PDB
Reactome pathway
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PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50362868
(CHEMBL1940404)Show InChI InChI=1S/C20H23ClFNO2/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2 | PDB
Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50002895
(CHEMBL226726)Show SMILES CN(CC(O)=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:16| Show InChI InChI=1S/C31H39N5O5/c1-31(2,3)26(37)18-35-25-16-9-8-15-24(25)29(21-11-6-5-7-12-21)33-36(30(35)41)19-27(38)32-22-13-10-14-23(17-22)34(4)20-28(39)40/h8-10,13-17,21H,5-7,11-12,18-20H2,1-4H3,(H,32,38)(H,39,40) | PDB
Reactome pathway
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PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50002898
(CHEMBL388068)Show SMILES CC1CCCC1C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 |c:18| Show InChI InChI=1S/C31H36N4O5/c1-20-9-7-15-24(20)27(36)18-34-26-16-6-5-14-25(26)29(21-10-3-2-4-11-21)33-35(31(34)40)19-28(37)32-23-13-8-12-22(17-23)30(38)39/h5-6,8,12-14,16-17,20-21,24H,2-4,7,9-11,15,18-19H2,1H3,(H,32,37)(H,38,39) | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50002913
(CHEMBL389783)Show SMILES CN1N=C(C2CCCCC2)c2cc(NCc3ccccc3)c(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O |t:2| Show InChI InChI=1S/C34H39N7O/c1-24-21-31-29(22-30(24)38-23-25-9-5-3-6-10-25)33(26-11-7-4-8-12-26)39-40(2)34(42)41(31)28-15-13-27(14-16-28)35-18-17-32-36-19-20-37-32/h3,5-6,9-10,13-16,19-22,26,35,38H,4,7-8,11-12,17-18,23H2,1-2H3,(H,36,37) | PDB
MMDB
Reactome pathway
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| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells |
J Med Chem 50: 4789-92 (2007)
Checked by Author
Article DOI: 10.1021/jm0707626
BindingDB Entry DOI: 10.7270/Q2Z039C3 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530673
(CHEMBL4453290)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1c(Cl)cccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-3-1-4-18(23)20(17)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2 | PDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530673
(CHEMBL4453290)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1c(Cl)cccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-3-1-4-18(23)20(17)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2 | PDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530698
(CHEMBL4472382)Show SMILES OC1(CCN(CC[C@H]2C[C@@H]2c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H25ClFNO/c23-19-5-3-18(4-6-19)22(26)10-13-25(14-11-22)12-9-17-15-21(17)16-1-7-20(24)8-2-16/h1-8,17,21,26H,9-15H2/t17-,21+/m0/s1 | PDB
Reactome pathway
KEGG
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| 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 |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530698
(CHEMBL4472382)Show SMILES OC1(CCN(CC[C@H]2C[C@@H]2c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H25ClFNO/c23-19-5-3-18(4-6-19)22(26)10-13-25(14-11-22)12-9-17-15-21(17)16-1-7-20(24)8-2-16/h1-8,17,21,26H,9-15H2/t17-,21+/m0/s1 | PDB
Reactome pathway
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 |
University of Nottingham
Curated by ChEMBL
| Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay |
J Med Chem 62: 9488-9520 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50002877
(CHEMBL388143)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2cccc(c2)C(O)=O)C1=O)C1CCCCC1 |c:15| Show InChI InChI=1S/C35H38N4O5/c1-35(2,3)30(40)21-38-29-18-8-7-17-28(29)32(23-11-5-4-6-12-23)37-39(34(38)44)22-31(41)36-27-16-10-14-25(20-27)24-13-9-15-26(19-24)33(42)43/h7-10,13-20,23H,4-6,11-12,21-22H2,1-3H3,(H,36,41)(H,42,43) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells |
J Med Chem 50: 3101-12 (2007)
Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN |
More data for this
Ligand-Target Pair | |
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