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PubMed code 15951399

Compile data set for download or QSAR
Found 5 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


(Homo sapiens (human))
BDBM50166903
PNG
(4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
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Article
PubMed
4.5n/an/an/an/an/an/an/an/a



Wyeth

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 1274-89 (2005)


Article DOI: 10.1124/jpet.105.086363
BindingDB Entry DOI: 10.7270/Q2057DJ4
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50166903
PNG
(4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
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Article
PubMed
98n/an/an/an/an/an/an/an/a



Wyeth

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 1274-89 (2005)


Article DOI: 10.1124/jpet.105.086363
BindingDB Entry DOI: 10.7270/Q2057DJ4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50166903
PNG
(4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
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Article
PubMed
248n/an/an/an/an/an/an/an/a



Wyeth

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 1274-89 (2005)


Article DOI: 10.1124/jpet.105.086363
BindingDB Entry DOI: 10.7270/Q2057DJ4
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50166903
PNG
(4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
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Article
PubMed
320n/an/an/an/an/an/an/an/a



Wyeth

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 1274-89 (2005)


Article DOI: 10.1124/jpet.105.086363
BindingDB Entry DOI: 10.7270/Q2057DJ4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166903
PNG
(4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
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Article
PubMed
1.55E+3n/an/an/an/an/an/an/an/a



Wyeth

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 1274-89 (2005)


Article DOI: 10.1124/jpet.105.086363
BindingDB Entry DOI: 10.7270/Q2057DJ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%