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Compile Data Set for Download or QSAR

Found 395 hits with Last Name = 'welch' and Initial = 'wm'   
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
GRIA3


(RAT)
BDBM50096326
PNG
(6-{(E)-2-[3-(2-Chloro-phenyl)-6-fluoro-4-oxo-3,4-d...)
Show SMILES Fc1ccc2nc(\C=C\c3cccc(n3)C#N)n(-c3ccccc3Cl)c(=O)c2c1
Show InChI InChI=1S/C22H12ClFN4O/c23-18-6-1-2-7-20(18)28-21(11-9-15-4-3-5-16(13-25)26-15)27-19-10-8-14(24)12-17(19)22(28)29/h1-12H/b11-9+
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




Mol Pharmacol 58: 1310-7 (2000)


Article DOI: 10.1124/mol.58.6.1310
BindingDB Entry DOI: 10.7270/Q24X56B1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222081
PNG
(CHEMBL327654)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccnc1
Show InChI InChI=1S/C15H16N4/c1-11-13(12-4-3-7-16-10-12)5-2-6-14(11)19-15-17-8-9-18-15/h2-7,10H,8-9H2,1H3,(H2,17,18,19)
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5.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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5.60n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222052
PNG
(CHEMBL329548)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccs1
Show InChI InChI=1S/C14H15N3S/c1-10-11(13-6-3-9-18-13)4-2-5-12(10)17-14-15-7-8-16-14/h2-6,9H,7-8H2,1H3,(H2,15,16,17)
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6.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015720
PNG
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)
Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222056
PNG
(CHEMBL94017)
Show SMILES COc1cccc(c1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C17H19N3O/c1-12-15(13-5-3-6-14(11-13)21-2)7-4-8-16(12)20-17-18-9-10-19-17/h3-8,11H,9-10H2,1-2H3,(H2,18,19,20)
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222051
PNG
(CHEMBL90118)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1ccsc1
Show InChI InChI=1S/C14H15N3S/c1-10-12(11-5-8-18-9-11)3-2-4-13(10)17-14-15-6-7-16-14/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17)
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50130287
PNG
((4,5-Dihydro-1H-imidazol-2-yl)-(2-methyl-biphenyl-...)
Show SMILES Cc1c(cccc1-c1ccccc1)N=C1NCCN1
Show InChI InChI=1S/C16H17N3/c1-12-14(13-6-3-2-4-7-13)8-5-9-15(12)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
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16n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50222052
PNG
(CHEMBL329548)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccs1
Show InChI InChI=1S/C14H15N3S/c1-10-11(13-6-3-9-18-13)4-2-5-12(10)17-14-15-7-8-16-14/h2-6,9H,7-8H2,1H3,(H2,15,16,17)
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17n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222053
PNG
(CHEMBL90752)
Show SMILES Cc1cccc(c1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C17H19N3/c1-12-5-3-6-14(11-12)15-7-4-8-16(13(15)2)20-17-18-9-10-19-17/h3-8,11H,9-10H2,1-2H3,(H2,18,19,20)
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82219
PNG
(CAS_52760-47-1 | CHEMBL38120 | CP-24441 | Tametral...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H19N/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h2-10,14,17-18H,11-12H2,1H3/t14-,17+/m0/s1
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50130287
PNG
((4,5-Dihydro-1H-imidazol-2-yl)-(2-methyl-biphenyl-...)
Show SMILES Cc1c(cccc1-c1ccccc1)N=C1NCCN1
Show InChI InChI=1S/C16H17N3/c1-12-14(13-6-3-2-4-7-13)8-5-9-15(12)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
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19n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50222053
PNG
(CHEMBL90752)
Show SMILES Cc1cccc(c1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C17H19N3/c1-12-5-3-6-14(11-12)15-7-4-8-16(13(15)2)20-17-18-9-10-19-17/h3-8,11H,9-10H2,1-2H3,(H2,18,19,20)
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21n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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21n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222082
PNG
(CHEMBL544315)
Show SMILES Cl.Cc1c(NC2=NCCN2)cccc1-c1cccc(c1)C#N
Show InChI InChI=1S/C17H16N4.ClH/c1-12-15(14-5-2-4-13(10-14)11-18)6-3-7-16(12)21-17-19-8-9-20-17;/h2-7,10H,8-9H2,1H3,(H2,19,20,21);1H
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22n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222055
PNG
(CHEMBL327906)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccc(Cl)c1
Show InChI InChI=1S/C16H16ClN3/c1-11-14(12-4-2-5-13(17)10-12)6-3-7-15(11)20-16-18-8-9-19-16/h2-7,10H,8-9H2,1H3,(H2,18,19,20)
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24n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM86698
PNG
(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
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24n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM112777
PNG
(NORTRIPTYLINE | US8629135, SW-02)
Show SMILES CNCCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50096327
PNG
((R)-3-(2-Chloro-phenyl)-2-[(E)-2-(6-diethylaminome...)
Show SMILES CCN(CC)Cc1cccc(\C=C\c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1
Show InChI InChI=1S/C26H24ClFN4O/c1-3-31(4-2)17-20-9-7-8-19(29-20)13-15-25-30-23-14-12-18(28)16-21(23)26(33)32(25)24-11-6-5-10-22(24)27/h5-16H,3-4,17H2,1-2H3/b15-13+
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




Mol Pharmacol 58: 1310-7 (2000)


Article DOI: 10.1124/mol.58.6.1310
BindingDB Entry DOI: 10.7270/Q24X56B1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222083
PNG
(CHEMBL90538)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccc(F)c1
Show InChI InChI=1S/C16H16FN3/c1-11-14(12-4-2-5-13(17)10-12)6-3-7-15(11)20-16-18-8-9-19-16/h2-7,10H,8-9H2,1H3,(H2,18,19,20)
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26n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222047
PNG
(CHEMBL316283)
Show SMILES COc1ccc(cc1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C17H19N3O/c1-12-15(13-6-8-14(21-2)9-7-13)4-3-5-16(12)20-17-18-10-11-19-17/h3-9H,10-11H2,1-2H3,(H2,18,19,20)
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26n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50222055
PNG
(CHEMBL327906)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccc(Cl)c1
Show InChI InChI=1S/C16H16ClN3/c1-11-14(12-4-2-5-13(17)10-12)6-3-7-15(11)20-16-18-8-9-19-16/h2-7,10H,8-9H2,1H3,(H2,18,19,20)
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26n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50222047
PNG
(CHEMBL316283)
Show SMILES COc1ccc(cc1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C17H19N3O/c1-12-15(13-6-8-14(21-2)9-7-13)4-3-5-16(12)20-17-18-10-11-19-17/h3-9H,10-11H2,1-2H3,(H2,18,19,20)
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28n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50222083
PNG
(CHEMBL90538)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccc(F)c1
Show InChI InChI=1S/C16H16FN3/c1-11-14(12-4-2-5-13(17)10-12)6-3-7-15(11)20-16-18-8-9-19-16/h2-7,10H,8-9H2,1H3,(H2,18,19,20)
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28n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222048
PNG
(CHEMBL540821)
Show SMILES Cl.CC(=O)c1cccc(c1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C18H19N3O.ClH/c1-12-16(15-6-3-5-14(11-15)13(2)22)7-4-8-17(12)21-18-19-9-10-20-18;/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21);1H
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50222051
PNG
(CHEMBL90118)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1ccsc1
Show InChI InChI=1S/C14H15N3S/c1-10-12(11-5-8-18-9-11)3-2-4-13(10)17-14-15-6-7-16-14/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17)
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
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33n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
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33n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50222056
PNG
(CHEMBL94017)
Show SMILES COc1cccc(c1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C17H19N3O/c1-12-15(13-5-3-6-14(11-13)21-2)7-4-8-16(12)20-17-18-9-10-19-17/h3-8,11H,9-10H2,1-2H3,(H2,18,19,20)
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35n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50222050
PNG
(CHEMBL92856)
Show SMILES COc1ccc(c(OC)c1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C18H21N3O2/c1-12-14(15-8-7-13(22-2)11-17(15)23-3)5-4-6-16(12)21-18-19-9-10-20-18/h4-8,11H,9-10H2,1-3H3,(H2,19,20,21)
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41n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50222056
PNG
(CHEMBL94017)
Show SMILES COc1cccc(c1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C17H19N3O/c1-12-15(13-5-3-6-14(11-13)21-2)7-4-8-16(12)20-17-18-9-10-19-17/h3-8,11H,9-10H2,1-2H3,(H2,18,19,20)
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44n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-1 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50222049
PNG
(CHEMBL90150)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N3/c1-11-14(12-4-2-5-13(10-12)17(18,19)20)6-3-7-15(11)23-16-21-8-9-22-16/h2-7,10H,8-9H2,1H3,(H2,21,22,23)
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46n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82216
PNG
(CP-52002)
Show SMILES CN[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m1/s1
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50n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM85710
PNG
(CP-471236)
Show SMILES CC1NC(CS1)\C=C\c1nc2ccccc2c(=O)n1-c1cccnc1C
Show InChI InChI=1S/C20H20N4OS/c1-13-18(8-5-11-21-13)24-19(10-9-15-12-26-14(2)22-15)23-17-7-4-3-6-16(17)20(24)25/h3-11,14-15,22H,12H2,1-2H3/b10-9+
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57n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




Mol Pharmacol 58: 1310-7 (2000)


Article DOI: 10.1124/mol.58.6.1310
BindingDB Entry DOI: 10.7270/Q24X56B1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
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58n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
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58n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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66n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50222051
PNG
(CHEMBL90118)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1ccsc1
Show InChI InChI=1S/C14H15N3S/c1-10-12(11-5-8-18-9-11)3-2-4-13(10)17-14-15-6-7-16-14/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17)
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69n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-1 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222050
PNG
(CHEMBL92856)
Show SMILES COc1ccc(c(OC)c1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C18H21N3O2/c1-12-14(15-8-7-13(22-2)11-17(15)23-3)5-4-6-16(12)21-18-19-9-10-20-18/h4-8,11H,9-10H2,1-3H3,(H2,19,20,21)
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74n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222049
PNG
(CHEMBL90150)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N3/c1-11-14(12-4-2-5-13(10-12)17(18,19)20)6-3-7-15(11)23-16-21-8-9-22-16/h2-7,10H,8-9H2,1H3,(H2,21,22,23)
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79n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50222048
PNG
(CHEMBL540821)
Show SMILES Cl.CC(=O)c1cccc(c1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C18H19N3O.ClH/c1-12-16(15-6-3-5-14(11-15)13(2)22)7-4-8-17(12)21-18-19-9-10-20-18;/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21);1H
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89n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-1 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50222082
PNG
(CHEMBL544315)
Show SMILES Cl.Cc1c(NC2=NCCN2)cccc1-c1cccc(c1)C#N
Show InChI InChI=1S/C17H16N4.ClH/c1-12-15(14-5-2-4-13(10-14)11-18)6-3-7-16(12)21-17-19-8-9-20-17;/h2-7,10H,8-9H2,1H3,(H2,19,20,21);1H
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91n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-1 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
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99n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50222052
PNG
(CHEMBL329548)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccs1
Show InChI InChI=1S/C14H15N3S/c1-10-11(13-6-3-9-18-13)4-2-5-12(10)17-14-15-7-8-16-14/h2-6,9H,7-8H2,1H3,(H2,15,16,17)
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102n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-1 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222054
PNG
(CHEMBL94056)
Show SMILES CC(C)c1cccc(c1)-c1cccc(NC2=NCCN2)c1C
Show InChI InChI=1S/C19H23N3/c1-13(2)15-6-4-7-16(12-15)17-8-5-9-18(14(17)3)22-19-20-10-11-21-19/h4-9,12-13H,10-11H2,1-3H3,(H2,20,21,22)
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110n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
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110n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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130n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50222055
PNG
(CHEMBL327906)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccc(Cl)c1
Show InChI InChI=1S/C16H16ClN3/c1-11-14(12-4-2-5-13(17)10-12)6-3-7-15(11)20-16-18-8-9-19-16/h2-7,10H,8-9H2,1H3,(H2,18,19,20)
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132n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-1 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00925-3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM82219
PNG
(CAS_52760-47-1 | CHEMBL38120 | CP-24441 | Tametral...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H19N/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h2-10,14,17-18H,11-12H2,1H3/t14-,17+/m0/s1
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PubMed
150n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
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