BindingDB logo
myBDB logout

17 similar compounds to monomer 50163474

Compile data set for download or QSAR
Wt: 389.4
BDBM50131360
Wt: 463.5
BDBM50131346
Wt: 419.5
BDBM50131348
Wt: 463.5
BDBM50131353
Wt: 464.5
BDBM50146509
Wt: 419.5
BDBM50163468
Wt: 535.6
BDBM50163475
Wt: 477.5
BDBM50163477
Wt: 490.6
BDBM50163479
Wt: 487.5
BDBM50163483
Wt: 503.6
BDBM50163484
Wt: 473.5
BDBM50163487
Wt: 461.5
BDBM50163489
Wt: 491.5
BDBM50163491
Wt: 433.5
BDBM50163494
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 50131360,50131346,50131348,50131353,50146509,50163468,50163475,50163477,50163479,50163483,50163484,50163487,50163489,50163491,50163494   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163477
PNG
((3R,3aS)-7-(2-Methoxy-ethoxy)-3-[4-((E)-2-methyl-3...)
Show SMILES COCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C28H35N3O4/c1-21(16-22-6-4-3-5-7-22)18-30-10-12-31(13-11-30)19-27-25-20-34-26-17-23(33-15-14-32-2)8-9-24(26)28(25)29-35-27/h3-9,16-17,25,27H,10-15,18-20H2,1-2H3/b21-16+/t25-,27-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163479
PNG
(CHEMBL176261 | Dimethyl-(2-{(3R,3aS)-3-[4-((E)-2-m...)
Show SMILES CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C29H38N4O3/c1-22(17-23-7-5-4-6-8-23)19-32-11-13-33(14-12-32)20-28-26-21-35-27-18-24(34-16-15-31(2)3)9-10-25(27)29(26)30-36-28/h4-10,17-18,26,28H,11-16,19-21H2,1-3H3/b22-17+/t26-,28-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50163477
PNG
((3R,3aS)-7-(2-Methoxy-ethoxy)-3-[4-((E)-2-methyl-3...)
Show SMILES COCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C28H35N3O4/c1-21(16-22-6-4-3-5-7-22)18-30-10-12-31(13-11-30)19-27-25-20-34-26-17-23(33-15-14-32-2)8-9-24(26)28(25)29-35-27/h3-9,16-17,25,27H,10-15,18-20H2,1-2H3/b21-16+/t25-,27-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163468
PNG
((3R,3aS)-3-[4-((E)-2-Methyl-3-phenyl-allyl)-pipera...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(O)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-18(13-19-5-3-2-4-6-19)15-27-9-11-28(12-10-27)16-24-22-17-30-23-14-20(29)7-8-21(23)25(22)26-31-24/h2-8,13-14,22,24,29H,9-12,15-17H2,1H3/b18-13+/t22-,24-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50163479
PNG
(CHEMBL176261 | Dimethyl-(2-{(3R,3aS)-3-[4-((E)-2-m...)
Show SMILES CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C29H38N4O3/c1-22(17-23-7-5-4-6-8-23)19-32-11-13-33(14-12-32)20-28-26-21-35-27-18-24(34-16-15-31(2)3)9-10-25(27)29(26)30-36-28/h4-10,17-18,26,28H,11-16,19-21H2,1-3H3/b22-17+/t26-,28-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163494
PNG
((3R,3aS)-7-Methoxy-3-[4-((E)-2-methyl-3-phenyl-all...)
Show SMILES COc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C26H31N3O3/c1-19(14-20-6-4-3-5-7-20)16-28-10-12-29(13-11-28)17-25-23-18-31-24-15-21(30-2)8-9-22(24)26(23)27-32-25/h3-9,14-15,23,25H,10-13,16-18H2,1-2H3/b19-14+/t23-,25-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163491
PNG
(CHEMBL175853 | Methoxy-acetic acid (3R,3aS)-3-[4-(...)
Show SMILES COCC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C28H33N3O5/c1-20(14-21-6-4-3-5-7-21)16-30-10-12-31(13-11-30)17-26-24-18-34-25-15-22(35-27(32)19-33-2)8-9-23(25)28(24)29-36-26/h3-9,14-15,24,26H,10-13,16-19H2,1-2H3/b20-14+/t24-,26-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163475
PNG
((3R,3aS)-7-[2-(2-Ethoxy-ethoxy)-ethoxy]-3-[4-((E)-...)
Show SMILES CCOCCOCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C31H41N3O5/c1-3-35-15-16-36-17-18-37-26-9-10-27-29(20-26)38-23-28-30(39-32-31(27)28)22-34-13-11-33(12-14-34)21-24(2)19-25-7-5-4-6-8-25/h4-10,19-20,28,30H,3,11-18,21-23H2,1-2H3/b24-19+/t28-,30-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163489
PNG
(Acetic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-a...)
Show SMILES CC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C27H31N3O4/c1-19(14-21-6-4-3-5-7-21)16-29-10-12-30(13-11-29)17-26-24-18-32-25-15-22(33-20(2)31)8-9-23(25)27(24)28-34-26/h3-9,14-15,24,26H,10-13,16-18H2,1-2H3/b19-14+/t24-,26-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131353
PNG
(7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C-adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50163468
PNG
((3R,3aS)-3-[4-((E)-2-Methyl-3-phenyl-allyl)-pipera...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(O)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-18(13-19-5-3-2-4-6-19)15-27-9-11-28(12-10-27)16-24-22-17-30-23-14-20(29)7-8-21(23)25(22)26-31-24/h2-8,13-14,22,24,29H,9-12,15-17H2,1H3/b18-13+/t22-,24-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rauwolscine binding to human alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163483
PNG
(CHEMBL175911 | Cyclopropanecarboxylic acid (3R,3aS...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C4CC4)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C29H33N3O4/c1-20(15-21-5-3-2-4-6-21)17-31-11-13-32(14-12-31)18-27-25-19-34-26-16-23(35-29(33)22-7-8-22)9-10-24(26)28(25)30-36-27/h2-6,9-10,15-16,22,25,27H,7-8,11-14,17-19H2,1H3/b20-15+/t25-,27-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50163489
PNG
(Acetic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-a...)
Show SMILES CC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C27H31N3O4/c1-19(14-21-6-4-3-5-7-21)16-29-10-12-30(13-11-29)17-26-24-18-32-25-15-22(33-20(2)31)8-9-23(25)27(24)28-34-26/h3-9,14-15,24,26H,10-13,16-18H2,1-2H3/b19-14+/t24-,26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163487
PNG
(Acrylic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C=C)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C28H31N3O4/c1-3-27(32)34-22-9-10-23-25(16-22)33-19-24-26(35-29-28(23)24)18-31-13-11-30(12-14-31)17-20(2)15-21-7-5-4-6-8-21/h3-10,15-16,24,26H,1,11-14,17-19H2,2H3/b20-15+/t24-,26-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131348
PNG
(7-Methoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-yl...)
Show SMILES COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1
Show InChI InChI=1S/C25H29N3O3/c1-29-20-9-10-21-23(16-20)30-18-22-24(31-26-25(21)22)17-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16,22,24H,11-15,17-18H2,1H3/b8-5+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50163494
PNG
((3R,3aS)-7-Methoxy-3-[4-((E)-2-methyl-3-phenyl-all...)
Show SMILES COc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C26H31N3O3/c1-19(14-20-6-4-3-5-7-20)16-28-10-12-29(13-11-28)17-25-23-18-31-24-15-21(30-2)8-9-22(24)26(23)27-32-25/h3-9,14-15,23,25H,10-13,16-18H2,1-2H3/b19-14+/t23-,25-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50163491
PNG
(CHEMBL175853 | Methoxy-acetic acid (3R,3aS)-3-[4-(...)
Show SMILES COCC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C28H33N3O5/c1-20(14-21-6-4-3-5-7-21)16-30-10-12-31(13-11-30)17-26-24-18-34-25-15-22(35-27(32)19-33-2)8-9-23(25)28(24)29-36-26/h3-9,14-15,24,26H,10-13,16-19H2,1-2H3/b20-14+/t24-,26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to the human alpha-2A adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A-adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131353
PNG
(7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50163483
PNG
(CHEMBL175911 | Cyclopropanecarboxylic acid (3R,3aS...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C4CC4)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C29H33N3O4/c1-20(15-21-5-3-2-4-6-21)17-31-11-13-32(14-12-31)18-27-25-19-34-26-16-23(35-29(33)22-7-8-22)9-10-24(26)28(25)30-36-27/h2-6,9-10,15-16,22,25,27H,7-8,11-14,17-19H2,1H3/b20-15+/t25-,27-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50163487
PNG
(Acrylic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C=C)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C28H31N3O4/c1-3-27(32)34-22-9-10-23-25(16-22)33-19-24-26(35-29-28(23)24)18-31-13-11-30(12-14-31)17-20(2)15-21-7-5-4-6-8-21/h3-10,15-16,24,26H,1,11-14,17-19H2,2H3/b20-15+/t24-,26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131360
PNG
(3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1
Show InChI InChI=1S/C24H27N3O2/c1-2-7-19(8-3-1)9-6-12-26-13-15-27(16-14-26)17-23-21-18-28-22-11-5-4-10-20(22)24(21)25-29-23/h1-11,21,23H,12-18H2/b9-6+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50163475
PNG
((3R,3aS)-7-[2-(2-Ethoxy-ethoxy)-ethoxy]-3-[4-((E)-...)
Show SMILES CCOCCOCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C31H41N3O5/c1-3-35-15-16-36-17-18-37-26-9-10-27-29(20-26)38-23-28-30(39-32-31(27)28)22-34-13-11-33(12-14-34)21-24(2)19-25-7-5-4-6-8-25/h4-10,19-20,28,30H,3,11-18,21-23H2,1-2H3/b24-19+/t28-,30-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163484
PNG
(2,2-Dimethyl-propionic acid (3R,3aS)-3-[4-((E)-2-m...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C(C)(C)C)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C30H37N3O4/c1-21(16-22-8-6-5-7-9-22)18-32-12-14-33(15-13-32)19-27-25-20-35-26-17-23(36-29(34)30(2,3)4)10-11-24(26)28(25)31-37-27/h5-11,16-17,25,27H,12-15,18-20H2,1-4H3/b21-16+/t25-,27-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131360
PNG
(3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1
Show InChI InChI=1S/C24H27N3O2/c1-2-7-19(8-3-1)9-6-12-26-13-15-27(16-14-26)17-23-21-18-28-22-11-5-4-10-20(22)24(21)25-29-23/h1-11,21,23H,12-18H2/b9-6+
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131348
PNG
(7-Methoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-yl...)
Show SMILES COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1
Show InChI InChI=1S/C25H29N3O3/c1-29-20-9-10-21-23(16-20)30-18-22-24(31-26-25(21)22)17-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16,22,24H,11-15,17-18H2,1H3/b8-5+
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131360
PNG
(3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1
Show InChI InChI=1S/C24H27N3O2/c1-2-7-19(8-3-1)9-6-12-26-13-15-27(16-14-26)17-23-21-18-28-22-11-5-4-10-20(22)24(21)25-29-23/h1-11,21,23H,12-18H2/b9-6+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146509
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-pyridin-3-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccnc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H32N4O4/c1-18(11-19-5-4-6-27-14-19)15-29-7-9-30(10-8-29)16-25-21-17-33-22-13-24(32-3)23(31-2)12-20(22)26(21)28-34-25/h4-6,11-14,21,25H,7-10,15-17H2,1-3H3/b18-11+/t21-,25-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131353
PNG
(7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human serotonin transporter


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rauwolscine binding to alpha-2B adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50163479
PNG
(CHEMBL176261 | Dimethyl-(2-{(3R,3aS)-3-[4-((E)-2-m...)
Show SMILES CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C29H38N4O3/c1-22(17-23-7-5-4-6-8-23)19-32-11-13-33(14-12-32)20-28-26-21-35-27-18-24(34-16-15-31(2)3)9-10-25(27)29(26)30-36-28/h4-10,17-18,26,28H,11-16,19-21H2,1-3H3/b22-17+/t26-,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50163468
PNG
((3R,3aS)-3-[4-((E)-2-Methyl-3-phenyl-allyl)-pipera...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(O)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-18(13-19-5-3-2-4-6-19)15-27-9-11-28(12-10-27)16-24-22-17-30-23-14-20(29)7-8-21(23)25(22)26-31-24/h2-8,13-14,22,24,29H,9-12,15-17H2,1H3/b18-13+/t22-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50163477
PNG
((3R,3aS)-7-(2-Methoxy-ethoxy)-3-[4-((E)-2-methyl-3...)
Show SMILES COCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C28H35N3O4/c1-21(16-22-6-4-3-5-7-22)18-30-10-12-31(13-11-30)19-27-25-20-34-26-17-23(33-15-14-32-2)8-9-24(26)28(25)29-35-27/h3-9,16-17,25,27H,10-15,18-20H2,1-2H3/b21-16+/t25-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50163484
PNG
(2,2-Dimethyl-propionic acid (3R,3aS)-3-[4-((E)-2-m...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C(C)(C)C)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C30H37N3O4/c1-21(16-22-8-6-5-7-9-22)18-32-12-14-33(15-13-32)19-27-25-20-35-26-17-23(36-29(34)30(2,3)4)10-11-24(26)28(25)31-37-27/h5-11,16-17,25,27H,12-15,18-20H2,1-4H3/b21-16+/t25-,27-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- paroxetine binding to 5-HTT receptor, serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50163491
PNG
(CHEMBL175853 | Methoxy-acetic acid (3R,3aS)-3-[4-(...)
Show SMILES COCC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C28H33N3O5/c1-20(14-21-6-4-3-5-7-21)16-30-10-12-31(13-11-30)17-26-24-18-34-25-15-22(35-27(32)19-33-2)8-9-23(25)28(24)29-36-26/h3-9,14-15,24,26H,10-13,16-19H2,1-2H3/b20-14+/t24-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131353
PNG
(7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 73 total )  |  Next  |  Last  >>