Found 199 hits with Last Name = 'randle' and Initial = 'jcr' 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 |
|---|
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50456168
(CHEMBL1800685)Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2Y14 expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP accumulation incubated for 15 ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM50584888
(CHEMBL5085145)Show SMILES N[C@H]1C[C@@H](CO)[C@@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of dopamine D3 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50584882
(CHEMBL5087121)Show SMILES [H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(CN1)C2 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM50541998
(CHEMBL4642592)Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 508 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to TSPO (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50566377
(CHEMBL4848380)Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to D1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50566410
(CHEMBL4854018)Show SMILES CN(C)C(=O)COC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C(C)=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to sigma 2 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50584891
(CHEMBL5085823)Show SMILES [H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50584891
(CHEMBL5085823)Show SMILES [H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM50566402
(CHEMBL4853466)Show SMILES OCc1cc(no1)-c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 751 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to TSPO (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50566377
(CHEMBL4848380)Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 759 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to sigma 1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50584887
(CHEMBL5094034)Show SMILES [H][C@@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(C1)C(=O)N2 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50541998
(CHEMBL4642592)Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to beta3 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50566389
(CHEMBL4854060)Show SMILES NC(=O)Cc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 931 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to sigma 2 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50584883
(CHEMBL5074765)Show SMILES [H][C@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@]([H])(CN1)C2 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic alpha 2B receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50584884
(CHEMBL5075741)Show SMILES [H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic alpha 2B receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50584889
(CHEMBL5083773)Show SMILES [H][C@@]12C[C@@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic alpha 2B receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50584885
(CHEMBL5079653)Show SMILES [H][C@]12C[C@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic alpha 2B receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50584888
(CHEMBL5085145)Show SMILES N[C@H]1C[C@@H](CO)[C@@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic alpha 2B receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50584882
(CHEMBL5087121)Show SMILES [H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(CN1)C2 |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SERT receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50584882
(CHEMBL5087121)Show SMILES [H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(CN1)C2 |r| | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of muscarinic M1 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50584883
(CHEMBL5074765)Show SMILES [H][C@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@]([H])(CN1)C2 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of dopamine D5 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50584884
(CHEMBL5075741)Show SMILES [H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of dopamine D5 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50584885
(CHEMBL5079653)Show SMILES [H][C@]12C[C@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of dopamine D5 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50584886
(CHEMBL5090079)Show SMILES [H][C@@]12CC([C@@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2)S(C)(=O)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of dopamine D5 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50584891
(CHEMBL5085823)Show SMILES [H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic alpha 2B receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50584888
(CHEMBL5085145)Show SMILES N[C@H]1C[C@@H](CO)[C@@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic beta 3 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50584885
(CHEMBL5079653)Show SMILES [H][C@]12C[C@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic beta 3 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50584894
(CHEMBL5076127)Show SMILES [H][C@@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(C1)C(=O)N2 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic beta 3 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50584883
(CHEMBL5074765)Show SMILES [H][C@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@]([H])(CN1)C2 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic beta 3 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50584891
(CHEMBL5085823)Show SMILES [H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic beta 3 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50584892
(CHEMBL5077671)Show SMILES [H][C@@]12CN(C(=O)OCC)[C@@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(=O)OCC(=O)N(C)C)C2 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of serotonin 5HT2C receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50584892
(CHEMBL5077671)Show SMILES [H][C@@]12CN(C(=O)OCC)[C@@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(=O)OCC(=O)N(C)C)C2 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of serotonin 5HT1D receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50584882
(CHEMBL5087121)Show SMILES [H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(CN1)C2 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of serotonin 5HT1D receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50584888
(CHEMBL5085145)Show SMILES N[C@H]1C[C@@H](CO)[C@@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of serotonin 5HT1D receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50584885
(CHEMBL5079653)Show SMILES [H][C@]12C[C@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of serotonin 5HT1D receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50584883
(CHEMBL5074765)Show SMILES [H][C@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@]([H])(CN1)C2 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of serotonin 5HT1D receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50584898
(CHEMBL5094130)Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KOR (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50584894
(CHEMBL5076127)Show SMILES [H][C@@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(C1)C(=O)N2 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of adrenergic alpha 2B receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM50584883
(CHEMBL5074765)Show SMILES [H][C@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@]([H])(CN1)C2 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of dopamine D3 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50584886
(CHEMBL5090079)Show SMILES [H][C@@]12CC([C@@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2)S(C)(=O)=O |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50584893
(CHEMBL5083619)Show SMILES N[C@@H]1C[C@H](CO)[C@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50584896
(CHEMBL5087295)Show SMILES [H][C@]12CN[C@]([H])(C1)[C@@H](C2)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50584888
(CHEMBL5085145)Show SMILES N[C@H]1C[C@@H](CO)[C@@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50584898
(CHEMBL5094130)Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50584883
(CHEMBL5074765)Show SMILES [H][C@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@]([H])(CN1)C2 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50584888
(CHEMBL5085145)Show SMILES N[C@H]1C[C@@H](CO)[C@@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 1 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50541998
(CHEMBL4642592)Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to D1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00164
BindingDB Entry DOI: 10.7270/Q2BZ69SP |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50584888
(CHEMBL5085145)Show SMILES N[C@H]1C[C@@H](CO)[C@@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of dopamine D1 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50584882
(CHEMBL5087121)Show SMILES [H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(CN1)C2 |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of dopamine D1 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50584885
(CHEMBL5079653)Show SMILES [H][C@]12C[C@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470 |
More data for this
Ligand-Target Pair | |
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