BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1858 hits with Last Name = 'lv' and Initial = 'w'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322239
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.510n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322240
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-bromophenyl)piperid...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.590n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.600 -52.6 1.10n/an/an/an/an/a25



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)


Article DOI: 10.1038/nchembio.2134
BindingDB Entry DOI: 10.7270/Q2TH8KH1
More data for this
Ligand-Target Pair
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM198120
PNG
(TSA)
Show SMILES CC(\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.800 -51.9 1.40n/an/an/an/an/a25



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)


Article DOI: 10.1038/nchembio.2134
BindingDB Entry DOI: 10.7270/Q2TH8KH1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322252
PNG
(4-(4-Iodophenyl)-1-((5-methoxy-1H-indol-3-yl)methy...)
Show SMILES COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c2c1
Show InChI InChI=1S/C21H23IN2O2/c1-26-18-6-7-20-19(12-18)15(13-23-20)14-24-10-8-21(25,9-11-24)16-2-4-17(22)5-3-16/h2-7,12-13,23,25H,8-11,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50322233
PNG
(8-(Benzofuran-3-ylmethyl)-3-((1-(2-fluoroethyl)-1H...)
Show SMILES FCCn1cc(CN2CN(c3ccccc3)C3(CCN(Cc4coc5ccccc45)CC3)C2=O)nn1
Show InChI InChI=1S/C27H29FN6O2/c28-12-15-33-18-22(29-30-33)17-32-20-34(23-6-2-1-3-7-23)27(26(32)35)10-13-31(14-11-27)16-21-19-36-25-9-5-4-8-24(21)25/h1-9,18-19H,10-17,20H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322229
PNG
(4-(4-Iodophenyl)-1-((4-methoxy-1H-indol-3-yl)methy...)
Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c12
Show InChI InChI=1S/C21H23IN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM198121
PNG
(HPOB)
Show SMILES OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
Article
PubMed
1 -51.4 1.80n/an/an/an/an/a25



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)


Article DOI: 10.1038/nchembio.2134
BindingDB Entry DOI: 10.7270/Q2TH8KH1
More data for this
Ligand-Target Pair
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.10 -51.1 1.90n/an/an/an/an/a25



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)


Article DOI: 10.1038/nchembio.2134
BindingDB Entry DOI: 10.7270/Q2TH8KH1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322245
PNG
(1-((1H-Pyrrolo[2,3-b]pyridine-3-yl)methyl)-4-(4-io...)
Show SMILES OC1(CCN(Cc2c[nH]c3ncccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C19H20IN3O/c20-16-5-3-15(4-6-16)19(24)7-10-23(11-8-19)13-14-12-22-18-17(14)2-1-9-21-18/h1-6,9,12,24H,7-8,10-11,13H2,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM198124
PNG
(Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
Article
PubMed
1.40 -50.5 2.5n/an/an/an/an/a25



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)


Article DOI: 10.1038/nchembio.2134
BindingDB Entry DOI: 10.7270/Q2TH8KH1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322242
PNG
(1-(Benzofuran-2-ylmethyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2cc3ccccc3o2)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)14-18-13-15-3-1-2-4-19(15)24-18/h1-8,13,23H,9-12,14H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.41n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM21398
PNG
(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

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.45n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322230
PNG
(1-((1H-Indol-3-yl)methyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H21IN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322233
PNG
(8-(Benzofuran-3-ylmethyl)-3-((1-(2-fluoroethyl)-1H...)
Show SMILES FCCn1cc(CN2CN(c3ccccc3)C3(CCN(Cc4coc5ccccc45)CC3)C2=O)nn1
Show InChI InChI=1S/C27H29FN6O2/c28-12-15-33-18-22(29-30-33)17-32-20-34(23-6-2-1-3-7-23)27(26(32)35)10-13-31(14-11-27)16-21-19-36-25-9-5-4-8-24(21)25/h1-9,18-19H,10-17,20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50322236
PNG
(8-(Benzofuran-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O
Show InChI InChI=1S/C23H25N3O2/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21/h2-10,16H,11-15,17H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322241
PNG
(1-(Benzo[b]thiophen-2-ylmethyl)-4-(4-bromophenyl)-...)
Show SMILES OC1(CCN(Cc2cc3ccccc3s2)CC1)c1ccccc1
Show InChI InChI=1S/C20H21NOS/c22-20(17-7-2-1-3-8-17)10-12-21(13-11-20)15-18-14-16-6-4-5-9-19(16)23-18/h1-9,14,22H,10-13,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.13n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Tandem CD1-CD2 construct (hCD12)


(Homo sapiens (Human))
BDBM198120
PNG
(TSA)
Show SMILES CC(\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
2.20 -49.4 3.90n/an/an/an/an/a25



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)


Article DOI: 10.1038/nchembio.2134
BindingDB Entry DOI: 10.7270/Q2TH8KH1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322254
PNG
(4-(4-bromophenyl)-1-((4-methoxy-1H-indol-3-yl)meth...)
Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c12
Show InChI InChI=1S/C21H23BrN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322239
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322243
PNG
(1-(Benzofuran-2-ylmethyl)-4-(4-bromophenyl)piperid...)
Show SMILES OC1(CCN(Cc2cc3ccccc3o2)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)14-18-13-15-3-1-2-4-19(15)24-18/h1-8,13,23H,9-12,14H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.45n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322253
PNG
(4-(4-bromophenyl)-1-((5-methoxy-1H-indol-3-yl)meth...)
Show SMILES COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C21H23BrN2O2/c1-26-18-6-7-20-19(12-18)15(13-23-20)14-24-10-8-21(25,9-11-24)16-2-4-17(22)5-3-16/h2-7,12-13,23,25H,8-11,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309834
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...)
Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12
Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309848
PNG
((R)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@H](C1)N1CCCC1
Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50322238
PNG
(1-(1-(Benzofuran-3-ylmethyl)piperidin-4-yl)-1Hbenz...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2coc3ccccc23)CC1
Show InChI InChI=1S/C21H21N3O2/c25-21-22-18-6-2-3-7-19(18)24(21)16-9-11-23(12-10-16)13-15-14-26-20-8-4-1-5-17(15)20/h1-8,14,16H,9-13H2,(H,22,25)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322230
PNG
(1-((1H-Indol-3-yl)methyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H21IN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322232
PNG
(4-(4-chlorophenyl)-1-((4-methoxy-1H-indol-3-yl)met...)
Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H23ClN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322231
PNG
(4-(4-chlorophenyl)-1-((5-methoxy-1H-indol-3-yl)met...)
Show SMILES COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C21H23ClN2O2/c1-26-18-6-7-20-19(12-18)15(13-23-20)14-24-10-8-21(25,9-11-24)16-2-4-17(22)5-3-16/h2-7,12-13,23,25H,8-11,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.30 -47.8 7.5n/an/an/an/an/a25



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)


Article DOI: 10.1038/nchembio.2134
BindingDB Entry DOI: 10.7270/Q2TH8KH1
More data for this
Ligand-Target Pair
Catalytic domain 1 (zCD1)


(Danio rerio)
BDBM198120
PNG
(TSA)
Show SMILES CC(\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
4.80 -47.5 7n/an/an/an/an/a25



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)


Article DOI: 10.1038/nchembio.2134
BindingDB Entry DOI: 10.7270/Q2TH8KH1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322255
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-bromophenyl)piperid...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H21BrN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309847
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1
Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322240
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-bromophenyl)piperid...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322236
PNG
(8-(Benzofuran-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O
Show InChI InChI=1S/C23H25N3O2/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21/h2-10,16H,11-15,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322235
PNG
(8-(Benzofuran-3-ylmethyl)-3-(2-fluoroethyl)-1-phen...)
Show SMILES FCCN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O
Show InChI InChI=1S/C24H26FN3O2/c25-12-15-27-18-28(20-6-2-1-3-7-20)24(23(27)29)10-13-26(14-11-24)16-19-17-30-22-9-5-4-8-21(19)22/h1-9,17H,10-16,18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50102258
PNG
((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity PSMA (unknown origin)


J Med Chem 58: 3094-103 (2015)


Article DOI: 10.1021/jm5018384
BindingDB Entry DOI: 10.7270/Q2MG7R6G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322244
PNG
(1-((1H-Pyrrolo[2,3-b]pyridine-3-yl)methyl)-4-(4-(m...)
Show SMILES CSc1ccc(cc1)C1(O)CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H23N3OS/c1-25-17-6-4-16(5-7-17)20(24)8-11-23(12-9-20)14-15-13-22-19-18(15)3-2-10-21-19/h2-7,10,13,24H,8-9,11-12,14H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.07n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50322235
PNG
(8-(Benzofuran-3-ylmethyl)-3-(2-fluoroethyl)-1-phen...)
Show SMILES FCCN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O
Show InChI InChI=1S/C24H26FN3O2/c25-12-15-27-18-28(20-6-2-1-3-7-20)24(23(27)29)10-13-26(14-11-24)16-19-17-30-22-9-5-4-8-21(19)22/h1-9,17H,10-16,18H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309845
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazo...)
Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309837
PNG
(1,3'-bipyrrolidin-1'-yl(4-((2-phenyl-1H-benzo[d]im...)
Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C29H30N4O/c34-29(32-19-16-25(21-32)31-17-6-7-18-31)24-14-12-22(13-15-24)20-33-27-11-5-4-10-26(27)30-28(33)23-8-2-1-3-9-23/h1-5,8-15,25H,6-7,16-21H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50050467
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50322240
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-bromophenyl)piperid...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.9n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50322239
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11.2n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322255
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-bromophenyl)piperid...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H21BrN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.1n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322247
PNG
(1-(1-((5-Methoxy-1H-indol-3-yl)methyl)piperidin-4-...)
Show SMILES COc1ccc2[nH]cc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)c2c1
Show InChI InChI=1S/C22H24N4O2/c1-28-17-6-7-19-18(12-17)15(13-23-19)14-25-10-8-16(9-11-25)26-21-5-3-2-4-20(21)24-22(26)27/h2-7,12-13,16,23H,8-11,14H2,1H3,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.5n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(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
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
12.7n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322238
PNG
(1-(1-(Benzofuran-3-ylmethyl)piperidin-4-yl)-1Hbenz...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2coc3ccccc23)CC1
Show InChI InChI=1S/C21H21N3O2/c25-21-22-18-6-2-3-7-19(18)24(21)16-9-11-23(12-10-16)13-15-14-26-20-8-4-1-5-17(15)20/h1-8,14,16H,9-13H2,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13.6n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322249
PNG
(4-(4-Bromophenyl)-1-((5-(2-fluoroethoxy)-1H-indol-...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccc(OCCF)cc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C22H24BrFN2O2/c23-18-3-1-17(2-4-18)22(27)7-10-26(11-8-22)15-16-14-25-21-6-5-19(13-20(16)21)28-12-9-24/h1-6,13-14,25,27H,7-12,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13.8n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322242
PNG
(1-(Benzofuran-2-ylmethyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2cc3ccccc3o2)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)14-18-13-15-3-1-2-4-19(15)24-18/h1-8,13,23H,9-12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14.3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1858 total )  |  Next  |  Last  >>
Jump to: