Found 561 hits with Last Name = 'aso' and Initial = 'e' 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 |
|---|
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50560224
(CHEMBL4751100)Show SMILES COc1cc2OC(C)(CCNCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Mixed inhibition of recombinant human AChE expressed in HEK293 cells assessed as dissociation constant for enzyme-inhibitor complex using varying lev... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00528
BindingDB Entry DOI: 10.7270/Q23N2733 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50560224
(CHEMBL4751100)Show SMILES COc1cc2OC(C)(CCNCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.258 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Mixed inhibition of recombinant human AChE expressed in HEK293 cells assessed as dissociation constant for enzyme-substrate-inhibitor complex using v... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00528
BindingDB Entry DOI: 10.7270/Q23N2733 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM86292
(2-[4-(2-Methyl-1H-imidazol-1-yl)-2-butynyl]isoxazo...)Show InChI InChI=1S/C11H13N3O2/c1-10-12-5-8-13(10)6-2-3-7-14-11(15)4-9-16-14/h5,8H,4,6-7,9H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; di Milano
Curated by PDSP Ki Database
| |
Farmaco 58: 739-48 (2003)
Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50176065
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; di Milano
Curated by PDSP Ki Database
| |
Farmaco 58: 739-48 (2003)
Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50068459
(1-[2-(4-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...)Show InChI InChI=1S/C22H30N2O/c1-25-22-11-9-21(10-12-22)13-15-24-18-16-23(17-19-24)14-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-19H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50068454
(1-[2-(3-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...)Show InChI InChI=1S/C22H30N2O/c1-25-22-11-5-9-21(19-22)12-14-24-17-15-23(16-18-24)13-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,19H,6,10,12-18H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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 Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50035131
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040266
(CHEMBL3359513)Show InChI InChI=1S/C22H30N2O2/c1-26-22-18-20(9-10-21(22)25)11-13-24-16-14-23(15-17-24)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,18,25H,5,8,11-17H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50068452
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-phenyl-prop...)Show InChI InChI=1S/C21H26Cl2N2/c22-20-9-8-19(17-21(20)23)10-12-25-15-13-24(14-16-25)11-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,17H,4,7,10-16H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM86290
(3-[4-(2-Methyl-1H-imidazol-1-yl)-2-butynyl]oxy-del...)Show InChI InChI=1S/C11H13N3O2/c1-10-12-5-7-14(10)6-2-3-8-15-11-4-9-16-13-11/h5,7H,4,6,8-9H2,1H3 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; di Milano
Curated by PDSP Ki Database
| |
Farmaco 58: 739-48 (2003)
Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040256
(CHEMBL3352893)Show InChI InChI=1S/C22H28N2O2/c1-2-5-19(6-3-1)7-4-11-23-13-15-24(16-14-23)12-10-20-8-9-21-22(17-20)26-18-25-21/h1-3,5-6,8-9,17H,4,7,10-16,18H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM82371
(CAS_1508-75-4 | NSC_5593 | TROPICAMIDE)Show InChI InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 | PDB
Reactome pathway
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DrugBank
MCE
PC cid
PC sid
UniChem
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| DrugBank
Article
PubMed
| 3.47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; di Milano
Curated by PDSP Ki Database
| |
Farmaco 58: 739-48 (2003)
Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM86290
(3-[4-(2-Methyl-1H-imidazol-1-yl)-2-butynyl]oxy-del...)Show InChI InChI=1S/C11H13N3O2/c1-10-12-5-7-14(10)6-2-3-8-15-11-4-9-16-13-11/h5,7H,4,6,8-9H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; di Milano
Curated by PDSP Ki Database
| |
Farmaco 58: 739-48 (2003)
Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50068450
(1-[2-(2-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...)Show InChI InChI=1S/C22H30N2O/c1-25-22-12-6-5-11-21(22)13-15-24-18-16-23(17-19-24)14-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-12H,7,10,13-19H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50338990
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM86290
(3-[4-(2-Methyl-1H-imidazol-1-yl)-2-butynyl]oxy-del...)Show InChI InChI=1S/C11H13N3O2/c1-10-12-5-7-14(10)6-2-3-8-15-11-4-9-16-13-11/h5,7H,4,6,8-9H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; di Milano
Curated by PDSP Ki Database
| |
Farmaco 58: 739-48 (2003)
Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM86294
(3-[4-(2,3-Dimethyl-1H-imidazolium-1-yl)-2-butynyl]...)Show InChI InChI=1S/C12H16N3O2/c1-11-14(2)7-8-15(11)6-3-4-9-16-12-5-10-17-13-12/h7-8H,5-6,9-10H2,1-2H3/q+1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; di Milano
Curated by PDSP Ki Database
| |
Farmaco 58: 739-48 (2003)
Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040264
(CHEMBL3360017)Show InChI InChI=1S/C23H31FN2O2/c1-27-23-18-21(9-10-22(23)28-19-24)11-13-26-16-14-25(15-17-26)12-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-10,18H,5,8,11-17,19H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040265
(CHEMBL3360016)Show InChI InChI=1S/C24H33FN2O2/c1-28-24-20-22(9-10-23(24)29-19-12-25)11-14-27-17-15-26(16-18-27)13-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-10,20H,5,8,11-19H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319488
(CHEMBL1084901 | rac-{5-Chloro-3-[2-(3,5-dimethyl-i...)Show SMILES Cc1noc(C)c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C24H22ClN3O5S/c1-13-19(15(3)33-26-13)11-28-24(17-6-4-5-7-21(17)34(28,31)32)23-14(2)27(12-22(29)30)20-9-8-16(25)10-18(20)23/h4-10,24H,11-12H2,1-3H3,(H,29,30) | PDB
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| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040258
(CHEMBL3360026)Show InChI InChI=1S/C23H30N2O2/c1-2-5-20(6-3-1)7-4-11-24-13-15-25(16-14-24)12-10-21-8-9-22-23(19-21)27-18-17-26-22/h1-3,5-6,8-9,19H,4,7,10-18H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040263
(CHEMBL3360019)Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC\C=C/I Show InChI InChI=1S/C25H33IN2O2/c1-29-25-21-23(10-11-24(25)30-20-6-13-26)12-15-28-18-16-27(17-19-28)14-5-9-22-7-3-2-4-8-22/h2-4,6-8,10-11,13,21H,5,9,12,14-20H2,1H3/b13-6- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319486
(CHEMBL1084893 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)Show SMILES Cc1noc(C)c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C24H23N3O5S/c1-14-19(16(3)32-25-14)12-27-24(18-9-5-7-11-21(18)33(27,30)31)23-15(2)26(13-22(28)29)20-10-6-4-8-17(20)23/h4-11,24H,12-13H2,1-3H3,(H,28,29) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(MOUSE) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | Reactome pathway
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTI-121 from mouse DAT in striatal membranes |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319487
(CHEMBL1084894 | rac-{2-Methyl-3-[2-(3-methyl-5-phe...)Show SMILES Cc1noc(c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C29H25N3O5S/c1-18-23(29(37-30-18)20-10-4-3-5-11-20)16-32-28(22-13-7-9-15-25(22)38(32,35)36)27-19(2)31(17-26(33)34)24-14-8-6-12-21(24)27/h3-15,28H,16-17H2,1-2H3,(H,33,34) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50162903
(CHEMBL359855 | [6-(4-Fluoro-benzenesulfonylamino)-...)Show SMILES CC1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O Show InChI InChI=1S/C21H21FN2O4S/c1-13-2-8-19-17(10-13)18-11-15(5-9-20(18)24(19)12-21(25)26)23-29(27,28)16-6-3-14(22)4-7-16/h3-7,9,11,13,23H,2,8,10,12H2,1H3,(H,25,26) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium |
Bioorg Med Chem Lett 15: 1749-53 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040261
(CHEMBL3360024)Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCc1ccccc1 Show InChI InChI=1S/C30H38N2O2/c1-33-30-25-28(14-15-29(30)34-24-17-27-11-6-3-7-12-27)16-19-32-22-20-31(21-23-32)18-8-13-26-9-4-2-5-10-26/h2-7,9-12,14-15,25H,8,13,16-24H2,1H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM86293
(3-[4-(2-Methyl-3-(4-bromobenzyl)-1H-imidazolium-1-...)Show InChI InChI=1S/C17H15BrN3O2/c1-14-20(9-2-3-12-22-17-8-13-23-19-17)10-11-21(14)16-6-4-15(18)5-7-16/h4-8,10-11,13H,9,12H2,1H3/q+1 | PDB
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| 17.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; di Milano
Curated by PDSP Ki Database
| |
Farmaco 58: 739-48 (2003)
Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040251
(CHEMBL3360018)Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC\C=C\I Show InChI InChI=1S/C25H33IN2O2/c1-29-25-21-23(10-11-24(25)30-20-6-13-26)12-15-28-18-16-27(17-19-28)14-5-9-22-7-3-2-4-8-22/h2-4,6-8,10-11,13,21H,5,9,12,14-20H2,1H3/b13-6+ | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319482
(CHEMBL1082939 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)Show SMILES Cc1noc(C)c1CN1C(c2ccccc2S1(=O)=O)c1cn(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C23H21N3O5S/c1-14-18(15(2)31-24-14)12-26-23(17-8-4-6-10-21(17)32(26,29)30)19-11-25(13-22(27)28)20-9-5-3-7-16(19)20/h3-11,23H,12-13H2,1-2H3,(H,27,28) | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50161746
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound for binding of PGD-2 in hTP binding assay using HEK293 cell membranes |
Bioorg Med Chem Lett 15: 1749-53 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040259
(CHEMBL3360025)Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C31H40N2O2/c1-34-31-26-29(16-17-30(31)35-25-9-15-28-12-6-3-7-13-28)18-20-33-23-21-32(22-24-33)19-8-14-27-10-4-2-5-11-27/h2-7,10-13,16-17,26H,8-9,14-15,18-25H2,1H3 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040257
(CHEMBL3360027)Show InChI InChI=1S/C24H32N2O2/c1-2-6-21(7-3-1)8-4-12-25-14-16-26(17-15-25)13-11-22-9-10-23-24(20-22)28-19-5-18-27-23/h1-3,6-7,9-10,20H,4-5,8,11-19H2 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50162894
(CHEMBL361972 | [2-(4-Fluoro-benzenesulfonylamino)-...)Show SMILES OC(=O)CN1C2CCCCCC2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12 Show InChI InChI=1S/C21H23FN2O4S/c22-14-6-9-16(10-7-14)29(27,28)23-15-8-11-20-18(12-15)17-4-2-1-3-5-19(17)24(20)13-21(25)26/h6-12,17,19,23H,1-5,13H2,(H,25,26) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium |
Bioorg Med Chem Lett 15: 1749-53 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040255
(CHEMBL3360023)Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1 Show InChI InChI=1S/C29H36N2O2/c1-32-29-23-26(14-15-28(29)33-24-27-11-6-3-7-12-27)16-18-31-21-19-30(20-22-31)17-8-13-25-9-4-2-5-10-25/h2-7,9-12,14-15,23H,8,13,16-22,24H2,1H3 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM39341
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26) | UniProtKB/SwissProt
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| 21.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; di Milano
Curated by PDSP Ki Database
| |
Farmaco 58: 739-48 (2003)
Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319495
(CHEMBL1082610 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)Show SMILES Cc1noc(C)c1CN1C(CCS1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C20H23N3O5S/c1-12-16(14(3)28-21-12)10-23-18(8-9-29(23,26)27)20-13(2)22(11-19(24)25)17-7-5-4-6-15(17)20/h4-7,18H,8-11H2,1-3H3,(H,24,25) | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(MOUSE) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from mouse SERT in whole brain membrane |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040262
(CHEMBL3360021)Show InChI InChI=1S/C24H33BrN2O2/c1-28-24-20-22(9-10-23(24)29-19-12-25)11-14-27-17-15-26(16-18-27)13-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-10,20H,5,8,11-19H2,1H3 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040252
(CHEMBL3360020)Show InChI InChI=1S/C25H36N2O2/c1-3-20-29-24-12-11-23(21-25(24)28-2)13-15-27-18-16-26(17-19-27)14-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-12,21H,3,7,10,13-20H2,1-2H3 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319486
(CHEMBL1084893 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)Show SMILES Cc1noc(C)c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C24H23N3O5S/c1-14-19(16(3)32-25-14)12-27-24(18-9-5-7-11-21(18)33(27,30)31)23-15(2)26(13-22(28)29)20-10-6-4-8-17(20)23/h4-11,24H,12-13H2,1-3H3,(H,28,29) | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human prostaglandin D2 receptor assessed as inhibition of PGD2-induced receptor activation by cell based FLIPR assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319490
(CHEMBL1084903 | rac-{3-[1,1-Dioxo-2-(2-phenoxy-eth...)Show SMILES Cc1c(C2N(CCOc3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O Show InChI InChI=1S/C26H24N2O5S/c1-18-25(20-11-5-7-13-22(20)27(18)17-24(29)30)26-21-12-6-8-14-23(21)34(31,32)28(26)15-16-33-19-9-3-2-4-10-19/h2-14,26H,15-17H2,1H3,(H,29,30) | PDB
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UniChem
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PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50040254
(CHEMBL3360022)Show InChI InChI=1S/C25H34N2O2/c1-3-20-29-24-12-11-23(21-25(24)28-2)13-15-27-18-16-26(17-19-27)14-7-10-22-8-5-4-6-9-22/h3-6,8-9,11-12,21H,1,7,10,13-20H2,2H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50162917
(CHEMBL360288 | [6-(4-Fluoro-benzenesulfonylamino)-...)Show SMILES OC(=O)Cn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12 Show InChI InChI=1S/C20H19FN2O4S/c21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25/h5-11,22H,1-4,12H2,(H,24,25) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes |
Bioorg Med Chem Lett 15: 1749-53 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50009307
(DITOLYLGUANIDINE | Di-o-tolylguanidine)Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18) | PDB
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PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis |
Bioorg Med Chem 23: 222-30 (2014)
Article DOI: 10.1016/j.bmc.2014.11.007
BindingDB Entry DOI: 10.7270/Q2KH0PXF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319491
(CHEMBL1083446 | rac-(3-{2-[2-(4-Chloro-phenoxy)-et...)Show SMILES Cc1c(C2N(CCOc3ccc(Cl)cc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O Show InChI InChI=1S/C26H23ClN2O5S/c1-17-25(20-6-2-4-8-22(20)28(17)16-24(30)31)26-21-7-3-5-9-23(21)35(32,33)29(26)14-15-34-19-12-10-18(27)11-13-19/h2-13,26H,14-16H2,1H3,(H,30,31) | PDB
Reactome pathway
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PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM39341
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26) | Reactome pathway
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| 35.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; di Milano
Curated by PDSP Ki Database
| |
Farmaco 58: 739-48 (2003)
Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319494
(CHEMBL1085069 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)Show SMILES Cc1noc(C)c1CN1C(C)(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C25H25N3O5S/c1-15-19(17(3)33-26-15)13-28-25(4,20-10-6-8-12-22(20)34(28,31)32)24-16(2)27(14-23(29)30)21-11-7-5-9-18(21)24/h5-12H,13-14H2,1-4H3,(H,29,30) | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM86290
(3-[4-(2-Methyl-1H-imidazol-1-yl)-2-butynyl]oxy-del...)Show InChI InChI=1S/C11H13N3O2/c1-10-12-5-7-14(10)6-2-3-8-15-11-4-9-16-13-11/h5,7H,4,6,8-9H2,1H3 | PDB
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| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; di Milano
Curated by PDSP Ki Database
| |
Farmaco 58: 739-48 (2003)
Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50162891
(CHEMBL179980 | [6-(4-Fluoro-benzenesulfonylamino)-...)Show SMILES OC(=O)Cn1c2CCC(Cc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12)c1ccccc1 Show InChI InChI=1S/C26H23FN2O4S/c27-19-7-10-21(11-8-19)34(32,33)28-20-9-13-25-23(15-20)22-14-18(17-4-2-1-3-5-17)6-12-24(22)29(25)16-26(30)31/h1-5,7-11,13,15,18,28H,6,12,14,16H2,(H,30,31) | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium |
Bioorg Med Chem Lett 15: 1749-53 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT |
More data for this
Ligand-Target Pair | |
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