BindingDB logo
myBDB logout

PubMed code 15951403

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.330n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM86709
PNG
(Rec 27/0074)
Show SMILES COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
Show InChI InChI=1S/C27H37N3O3/c1-32-25-14-8-6-12-23(25)29-19-16-28(17-20-29)18-21-30(24-13-7-9-15-26(24)33-2)27(31)22-10-4-3-5-11-22/h6-9,12-15,22H,3-5,10-11,16-21H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.890n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM86709
PNG
(Rec 27/0074)
Show SMILES COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
Show InChI InChI=1S/C27H37N3O3/c1-32-25-14-8-6-12-23(25)29-19-16-28(17-20-29)18-21-30(24-13-7-9-15-26(24)33-2)27(31)22-10-4-3-5-11-22/h6-9,12-15,22H,3-5,10-11,16-21H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.02n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.05n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.09n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86709
PNG
(Rec 27/0074)
Show SMILES COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
Show InChI InChI=1S/C27H37N3O3/c1-32-25-14-8-6-12-23(25)29-19-16-28(17-20-29)18-21-30(24-13-7-9-15-26(24)33-2)27(31)22-10-4-3-5-11-22/h6-9,12-15,22H,3-5,10-11,16-21H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.17n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.57n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM86709
PNG
(Rec 27/0074)
Show SMILES COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
Show InChI InChI=1S/C27H37N3O3/c1-32-25-14-8-6-12-23(25)29-19-16-28(17-20-29)18-21-30(24-13-7-9-15-26(24)33-2)27(31)22-10-4-3-5-11-22/h6-9,12-15,22H,3-5,10-11,16-21H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.13n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM85833
PNG
(N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.75n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.32n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18.6n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
20.4n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
33.1n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM85833
PNG
(N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
81.3n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM85833
PNG
(N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
105n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
135n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
224n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM86709
PNG
(Rec 27/0074)
Show SMILES COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
Show InChI InChI=1S/C27H37N3O3/c1-32-25-14-8-6-12-23(25)29-19-16-28(17-20-29)18-21-30(24-13-7-9-15-26(24)33-2)27(31)22-10-4-3-5-11-22/h6-9,12-15,22H,3-5,10-11,16-21H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
316n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
347n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
646n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
661n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
724n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM85833
PNG
(N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
871n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.79E+3n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM85833
PNG
(N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86709
PNG
(Rec 27/0074)
Show SMILES COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
Show InChI InChI=1S/C27H37N3O3/c1-32-25-14-8-6-12-23(25)29-19-16-28(17-20-29)18-21-30(24-13-7-9-15-26(24)33-2)27(31)22-10-4-3-5-11-22/h6-9,12-15,22H,3-5,10-11,16-21H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%