Found 909 hits with Last Name = 'kellam' and Initial = 'b' 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 | |
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 | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50001714
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.123 | 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 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3... |
J Med Chem 58: 9754-67 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5 |
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 | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM112780
(US8629135, SW-07)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00125
BindingDB Entry DOI: 10.7270/Q29W0KK1 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50001714
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.200 | 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 [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu... |
J Med Chem 58: 9754-67 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM60212
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| DrugBank
Article
PubMed
| 0.200 | 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 [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu... |
J Med Chem 58: 9754-67 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM60212
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| DrugBank
Article
PubMed
| 0.275 | 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 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3... |
J Med Chem 58: 9754-67 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50583640
(CHEMBL5075285)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1 |c:66,68,t:63| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cells by radioligand competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3 |
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 | |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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
Reactome pathway
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PDB
UniChem
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Similars
| 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 | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50583641
(CHEMBL5086197)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCC[N+]1=C(\C=C\C=C\C=C2\N(C)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:52| | PDB
Reactome pathway
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| PC cid
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UniChem
| Article
PubMed
| 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to NanoLuc human A1 adenosine receptor expressed in HEK293-A cells in prescence of SLV320 by NanoBRET competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3 |
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 | |
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
Reactome pathway
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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 | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50581950
(CHEMBL4204703)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| | PDB
Reactome pathway
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| Article
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO-K1 cells by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3 |
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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UniChem
| 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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| PC cid
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UniChem
| 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)) | 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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| PC cid
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UniChem
| 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
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| 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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| CHEMBL
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PC sid
UniChem
Similars
| 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 | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
NCI pathway
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UniChem
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| DrugBank
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 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3... |
J Med Chem 58: 9754-67 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5 |
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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| CHEMBL
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PC sid
UniChem
Similars
| 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 | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
NCI pathway
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CHEMBL
MCE
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PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | 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 [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu... |
J Med Chem 58: 9754-67 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
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UniChem
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Similars
| DrugBank
Article
PubMed
| 1.30 | 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 [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu... |
J Med Chem 58: 9754-67 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50135225
(Naloxonazine)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CC\C2=N/N=C1\CC[C@@]2(O)[C@@]4([H])Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC=C)c56)ccc3O |r,TLB:44:43:26:47.31.30,THB:10:9:16:4.5.6| Show InChI InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33+,34+,35+,36+,37-,38-/m1/s1 | PDB
NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | 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 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3... |
J Med Chem 58: 9754-67 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50583644
(CHEMBL5080679)Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)C(=O)NCCNC(=O)CCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)c2nc([nH]c2c1=O)C12CC3CC(CC(C3)C1)C2 |c:52,54,t:49,TLB:79:80:77.78.83:84,THB:81:80:77:83.82.84,81:82:77:85.79.80,79:78:84:85.80.81| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to NanoLuc human A1 adenosine receptor expressed in HEK293-A cells in prescence of SLV320 by NanoBRET competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3 |
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
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 | |
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
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 | |
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 | |
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 | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50059841
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | 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 [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu... |
J Med Chem 58: 9754-67 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50026603
(Buprenorphine | CHEBI:3216)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1.60 | 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 [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis |
J Med Chem 58: 9754-67 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50474701
(CHEMBL147830)Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | 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)) | BDBM50474701
(CHEMBL147830)Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | 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 | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50581950
(CHEMBL4204703)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cells by radioligand competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50027218
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show InChI InChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,4,7,12-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.80 | 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)) | BDBM50027218
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show InChI InChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,4,7,12-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.80 | 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)) | BDBM50530693
(CHEMBL422334)Show SMILES COC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c1-27-22(18-6-8-19(23)9-7-18)12-15-25(16-13-22)14-2-3-21(26)17-4-10-20(24)11-5-17/h4-11H,2-3,12-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | 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)) | BDBM50530693
(CHEMBL422334)Show SMILES COC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c1-27-22(18-6-8-19(23)9-7-18)12-15-25(16-13-22)14-2-3-21(26)17-4-10-20(24)11-5-17/h4-11H,2-3,12-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | 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 | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50167271
(CHEMBL3798413)Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@@H]([C@@H](O)[C@H]3O)c3nnn[nH]3)c2n1 |r| Show InChI InChI=1S/C22H26N10O2S/c1-2-8-35-22-24-20(23-14-9-12(14)11-6-4-3-5-7-11)16-21(25-22)32(31-26-16)15-10-13(17(33)18(15)34)19-27-29-30-28-19/h3-7,12-15,17-18,33-34H,2,8-10H2,1H3,(H,23,24,25)(H,27,28,29,30)/t12-,13-,14+,15+,17+,18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50530679
(CHEMBL4540679)Show InChI InChI=1S/C21H23ClFNO2/c22-19-5-2-1-4-18(19)21(26)11-14-24(15-12-21)13-3-6-20(25)16-7-9-17(23)10-8-16/h1-2,4-5,7-10,26H,3,6,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | 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 | |
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