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Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'kelder' and Initial = 'd'   
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))
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
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0.240n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
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))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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0.590n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
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
Alpha-1A adrenergic 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
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45n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
D(3) dopamine 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
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67n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
D(2) dopamine 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
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79n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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260n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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340n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
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 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 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)
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
D(1A) dopamine receptor


(RAT)
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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1.00E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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
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1.00E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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1.00E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(RAT)
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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1.00E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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1.00E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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
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1.00E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(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
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1.00E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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1.00E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
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


(Rattus norvegicus (Rat))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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1.00E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)
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
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1.00E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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
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1.10E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
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 7


(Rattus norvegicus (rat))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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1.90E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Galanin peptides


(RAT)
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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2.60E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Galanin peptides


(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
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2.60E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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
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>1.00E+4n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor


(RAT)
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor


(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
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Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
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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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
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Glutamate receptor 3


(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
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Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
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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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
Glutamate receptor 3


(RAT)
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(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
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>1.00E+4n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(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
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Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
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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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
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(RAT)
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Histamine H1 receptor


(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
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MCE
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>1.00E+4n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
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