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PubMed code 11714872

Compile data set for download or QSAR
Found 14 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


(Rattus norvegicus (rat))
BDBM85827
PNG
((R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-be...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM85826
PNG
((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM85827
PNG
((R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-be...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1
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88n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM85826
PNG
((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1
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240n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM85826
PNG
((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1
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500n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)
BDBM85827
PNG
((R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-be...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1
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500n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM85827
PNG
((R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-be...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1
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500n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)
BDBM85826
PNG
((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1
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500n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM85827
PNG
((R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-be...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(BOVINE)
BDBM85826
PNG
((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(RAT)
BDBM85826
PNG
((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM85826
PNG
((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(RAT)
BDBM85827
PNG
((R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-be...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM85827
PNG
((R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-be...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%