BindingDB logo
myBDB logout

PubMed code 11459653

Compile data set for download or QSAR
Found 31 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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102006
PNG
(3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:12.13,15.20,(10.58,5.27,;9.25,6.04,;7.91,5.27,;7.91,3.73,;6.57,2.97,;5.25,3.74,;3.93,2.97,;2.59,3.75,;2.59,5.28,;3.93,6.05,;5.26,5.28,;6.59,6.04,;1.26,2.98,;1.26,1.44,;-.07,.67,;-1.41,1.45,;-1.41,2.97,;-.08,3.75,;-2.74,.67,;-2.89,-.87,;-4.41,-1.2,;-5.19,.14,;-6.69,.45,;-7.18,1.91,;-6.15,3.07,;-4.64,2.76,;-4.16,1.3,;-6.63,4.53,;-7.11,5.99,)|
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.100n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102023
PNG
(3-[4-(5-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1cccc2CN(CCc12)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:12.13,15.20,(4.13,-4.89,;3.36,-6.22,;4.13,-7.55,;3.35,-8.88,;4.13,-10.22,;5.66,-10.22,;6.42,-8.89,;7.97,-8.9,;8.74,-7.57,;7.97,-6.22,;6.43,-6.22,;5.66,-7.55,;10.27,-7.57,;11.06,-6.22,;12.59,-6.24,;13.36,-7.57,;12.59,-8.9,;11.04,-8.9,;14.9,-7.57,;15.37,-9.04,;16.92,-9.03,;17.39,-7.57,;18.77,-6.94,;18.95,-5.4,;17.69,-4.5,;16.3,-5.13,;16.14,-6.67,;17.84,-2.96,;17.99,-1.43,)|
Show InChI InChI=1S/C25H27N3O/c1-29-25-4-2-3-19-16-28(12-11-21(19)25)20-8-6-18(7-9-20)23-15-27-24-10-5-17(14-26)13-22(23)24/h2-5,10,13,15,18,20,27H,6-9,11-12,16H2,1H3/t18-,20+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.610n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102009
PNG
(3-[4-(7-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CCN(Cc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:12.13,15.20,(2.56,-10.89,;4.08,-10.89,;4.86,-9.57,;4.08,-8.22,;4.86,-6.89,;6.38,-6.89,;7.17,-5.57,;8.7,-5.57,;9.47,-6.92,;8.7,-8.24,;7.15,-8.24,;6.38,-9.57,;11,-6.92,;11.78,-5.57,;13.31,-5.59,;14.08,-6.92,;13.31,-8.24,;11.77,-8.24,;15.62,-6.92,;16.1,-8.38,;17.64,-8.38,;18.11,-6.92,;19.5,-6.29,;19.67,-4.75,;18.41,-3.85,;17.01,-4.47,;16.87,-6.01,;18.56,-2.31,;18.71,-.78,)|
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-18-10-11-28(16-20(18)13-22)21-6-3-19(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,19,21,27H,3-4,6-7,10-11,16H2,1H3/t19-,21+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.800n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102003
PNG
(3-[4-(8-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1cccc2CCN(Cc12)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:12.13,15.20,(5.64,-11.69,;6.41,-10.37,;5.63,-9.04,;4.1,-9.04,;3.33,-7.69,;4.1,-6.38,;5.63,-6.38,;6.41,-5.04,;7.95,-5.05,;8.71,-6.39,;7.95,-7.73,;6.4,-7.71,;10.25,-6.39,;11.03,-5.05,;12.57,-5.06,;13.34,-6.4,;12.57,-7.73,;11.02,-7.73,;14.88,-6.4,;15.35,-7.87,;16.9,-7.85,;17.37,-6.39,;18.76,-5.76,;18.93,-4.22,;17.67,-3.33,;16.27,-3.96,;16.12,-5.49,;17.82,-1.79,;17.97,-.26,)|
Show InChI InChI=1S/C25H27N3O/c1-29-25-4-2-3-18-11-12-28(16-23(18)25)20-8-6-19(7-9-20)22-15-27-24-10-5-17(14-26)13-21(22)24/h2-5,10,13,15,19-20,27H,6-9,11-12,16H2,1H3/t19-,20+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102010
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)|
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.20n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102005
PNG
(2-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-6-methoxy-1,...)
Show SMILES COc1ccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc2c1
Show InChI InChI=1S/C21H23FN2O/c1-25-19-6-4-17-14-24(10-8-15(17)11-19)9-2-3-16-13-23-21-7-5-18(22)12-20(16)21/h4-7,11-13,23H,2-3,8-10,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 1.40n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes by [3H]-Citalopram displacement.

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50101999
PNG
(3-(4-Phenethylamino-cyclohex-1-enyl)-1H-indole-5-c...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCC(CC3)NCCc3ccccc3)c2c1 |t:9|
Show InChI InChI=1S/C23H23N3/c24-15-18-6-11-23-21(14-18)22(16-26-23)19-7-9-20(10-8-19)25-13-12-17-4-2-1-3-5-17/h1-7,11,14,16,20,25-26H,8-10,12-13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 1.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102012
PNG
(2-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-5-methoxy-1,...)
Show SMILES COc1cccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc12
Show InChI InChI=1S/C21H23FN2O/c1-25-21-6-2-4-16-14-24(11-9-18(16)21)10-3-5-15-13-23-20-8-7-17(22)12-19(15)20/h2,4,6-8,12-13,23H,3,5,9-11,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 1.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102016
PNG
(3-(4-Phenethylamino-cyclohexyl)-1H-indole-5-carbon...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCc3ccccc3)c2c1 |wU:9.8,wD:12.15,(-8.5,-4.57,;-7.17,-5.34,;-5.84,-6.13,;-5.85,-7.68,;-4.51,-8.45,;-3.18,-7.68,;-1.71,-8.17,;-.8,-6.95,;-1.68,-5.69,;-1.19,-4.22,;-2.21,-3.07,;-1.73,-1.62,;-.21,-1.29,;.8,-2.46,;.33,-3.91,;.26,.16,;1.76,.48,;2.81,-.69,;4.31,-.36,;4.78,1.09,;6.29,1.42,;7.33,.25,;6.84,-1.2,;5.33,-1.53,;-3.15,-6.16,;-4.5,-5.36,)|
Show InChI InChI=1S/C23H25N3/c24-15-18-6-11-23-21(14-18)22(16-26-23)19-7-9-20(10-8-19)25-13-12-17-4-2-1-3-5-17/h1-6,11,14,16,19-20,25-26H,7-10,12-13H2/t19-,20-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 2n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102017
PNG
(3-(4-Benzylamino-cyclohex-1-enyl)-1H-indole-5-carb...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCC(CC3)NCc3ccccc3)c2c1 |t:9|
Show InChI InChI=1S/C22H21N3/c23-13-17-6-11-22-20(12-17)21(15-25-22)18-7-9-19(10-8-18)24-14-16-4-2-1-3-5-16/h1-7,11-12,15,19,24-25H,8-10,14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 3.10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102015
PNG
(2-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-1,2,3,4-tetr...)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C20H21FN2/c21-18-7-8-20-19(12-18)16(13-22-20)6-3-10-23-11-9-15-4-1-2-5-17(15)14-23/h1-2,4-5,7-8,12-13,22H,3,6,9-11,14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 4.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102000
PNG
(3-[4-(8-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1cccc2CCN(Cc12)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:15.20,wD:12.13,(5.64,-11.69,;6.41,-10.37,;5.63,-9.04,;4.1,-9.04,;3.33,-7.69,;4.1,-6.38,;5.63,-6.38,;6.41,-5.04,;7.95,-5.05,;8.71,-6.39,;7.95,-7.73,;6.4,-7.71,;10.25,-6.39,;11.02,-7.73,;12.57,-7.73,;13.34,-6.4,;12.57,-5.06,;11.03,-5.05,;14.88,-6.4,;15.35,-7.87,;16.9,-7.85,;17.37,-6.39,;18.76,-5.76,;18.93,-4.22,;17.67,-3.33,;16.27,-3.96,;16.12,-5.49,;17.82,-1.79,;17.97,-.26,)|
Show InChI InChI=1S/C25H27N3O/c1-29-25-4-2-3-18-11-12-28(16-23(18)25)20-8-6-19(7-9-20)22-15-27-24-10-5-17(14-26)13-21(22)24/h2-5,10,13,15,19-20,27H,6-9,11-12,16H2,1H3/t19-,20-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 7.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102014
PNG
(3-(4-Benzylamino-cyclohexyl)-1H-indole-5-carbonitr...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1 |wU:9.8,12.15,(-3.24,-6.28,;-1.9,-7.04,;-.57,-7.81,;-.6,-9.37,;.73,-10.14,;2.08,-9.39,;3.55,-9.88,;4.46,-8.64,;3.57,-7.39,;4.04,-5.93,;5.58,-5.64,;6.04,-4.17,;5.02,-3.01,;3.5,-3.34,;3.04,-4.8,;5.51,-1.56,;7,-1.26,;8.02,-2.4,;7.53,-3.84,;8.56,-5.01,;10.07,-4.68,;10.56,-3.24,;9.54,-2.07,;2.1,-7.86,;.75,-7.07,)|
Show InChI InChI=1S/C22H23N3/c23-13-17-6-11-22-20(12-17)21(15-25-22)18-7-9-19(10-8-18)24-14-16-4-2-1-3-5-16/h1-6,11-12,15,18-19,24-25H,7-10,14H2/t18-,19+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 7.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102024
PNG
(3-(4-Phenethylamino-cyclohexyl)-1H-indole-5-carbon...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCc3ccccc3)c2c1 |wU:9.8,12.15,(-8.5,-4.57,;-7.17,-5.34,;-5.84,-6.13,;-5.85,-7.68,;-4.51,-8.45,;-3.18,-7.68,;-1.71,-8.17,;-.8,-6.95,;-1.68,-5.69,;-1.19,-4.22,;.33,-3.91,;.8,-2.46,;-.21,-1.29,;-1.73,-1.62,;-2.21,-3.07,;.26,.16,;1.76,.48,;2.81,-.69,;4.31,-.36,;4.78,1.09,;6.29,1.42,;7.33,.25,;6.84,-1.2,;5.33,-1.53,;-3.15,-6.16,;-4.5,-5.36,)|
Show InChI InChI=1S/C23H25N3/c24-15-18-6-11-23-21(14-18)22(16-26-23)19-7-9-20(10-8-19)25-13-12-17-4-2-1-3-5-17/h1-6,11,14,16,19-20,25-26H,7-10,12-13H2/t19-,20+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 7.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102008
PNG
(3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:15.20,wD:12.13,(32.14,4.98,;30.81,5.75,;29.47,4.98,;29.47,3.44,;28.13,2.68,;26.81,3.46,;25.49,2.69,;24.15,3.46,;24.15,5,;25.49,5.76,;26.82,4.99,;28.15,5.75,;22.82,2.69,;21.48,3.46,;20.15,2.69,;20.15,1.16,;21.49,.38,;22.82,1.15,;18.82,.38,;18.67,-1.16,;17.15,-1.49,;16.37,-.15,;14.86,.16,;14.38,1.63,;15.41,2.78,;16.92,2.47,;17.4,1.01,;14.93,4.24,;14.45,5.7,)|
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 8n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102019
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:9.8,wD:12.15,(14.62,-2.1,;15.1,-3.56,;15.58,-5.02,;14.55,-6.17,;15.04,-7.64,;16.54,-7.95,;17.32,-9.29,;18.84,-8.96,;19,-7.42,;20.33,-6.64,;20.32,-5.11,;21.65,-4.34,;22.99,-5.11,;22.99,-6.65,;21.66,-7.42,;24.32,-4.34,;24.32,-2.8,;25.66,-2.04,;26.99,-2.81,;28.32,-2.05,;29.64,-2.82,;29.64,-4.36,;28.31,-5.12,;26.98,-4.35,;25.66,-5.11,;17.58,-6.79,;17.09,-5.33,)|
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102002
PNG
(3-[4-(7-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CCN(Cc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:15.20,wD:12.13,(2.56,-10.89,;4.08,-10.89,;4.86,-9.57,;4.08,-8.22,;4.86,-6.89,;6.38,-6.89,;7.17,-5.57,;8.7,-5.57,;9.47,-6.92,;8.7,-8.24,;7.15,-8.24,;6.38,-9.57,;11,-6.92,;11.77,-8.24,;13.31,-8.24,;14.08,-6.92,;13.31,-5.59,;11.78,-5.57,;15.62,-6.92,;16.1,-8.38,;17.64,-8.38,;18.11,-6.92,;19.5,-6.29,;19.67,-4.75,;18.41,-3.85,;17.01,-4.47,;16.87,-6.01,;18.56,-2.31,;18.71,-.78,)|
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-18-10-11-28(16-20(18)13-22)21-6-3-19(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,19,21,27H,3-4,6-7,10-11,16H2,1H3/t19-,21-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 12n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102011
PNG
(3-[4-(5-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1cccc2CN(CCc12)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:15.20,wD:12.13,(4.13,-4.89,;3.36,-6.22,;4.13,-7.55,;3.35,-8.88,;4.13,-10.22,;5.66,-10.22,;6.42,-8.89,;7.97,-8.9,;8.74,-7.57,;7.97,-6.22,;6.43,-6.22,;5.66,-7.55,;10.27,-7.57,;11.04,-8.9,;12.59,-8.9,;13.36,-7.57,;12.59,-6.24,;11.06,-6.22,;14.9,-7.57,;15.37,-9.04,;16.92,-9.03,;17.39,-7.57,;18.77,-6.94,;18.95,-5.4,;17.69,-4.5,;16.3,-5.13,;16.14,-6.67,;17.84,-2.96,;17.99,-1.43,)|
Show InChI InChI=1S/C25H27N3O/c1-29-25-4-2-3-19-16-28(12-11-21(19)25)20-8-6-18(7-9-20)23-15-27-24-10-5-17(14-26)13-22(23)24/h2-5,10,13,15,18,20,27H,6-9,11-12,16H2,1H3/t18-,20-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 12n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102007
PNG
(Benzyl-[4-(5-fluoro-1H-indol-3-yl)-cyclohexyl]-ami...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1 |wU:8.7,wD:11.14,(-1.9,-7.04,;-.57,-7.81,;-.6,-9.37,;.73,-10.14,;2.08,-9.39,;3.55,-9.88,;4.46,-8.64,;3.57,-7.39,;4.04,-5.93,;3.04,-4.8,;3.5,-3.34,;5.02,-3.01,;6.04,-4.17,;5.58,-5.64,;5.51,-1.56,;7,-1.26,;8.02,-2.4,;9.54,-2.07,;10.56,-3.24,;10.07,-4.68,;8.56,-5.01,;7.53,-3.84,;2.1,-7.86,;.75,-7.07,)|
Show InChI InChI=1S/C21H23FN2/c22-17-8-11-21-19(12-17)20(14-24-21)16-6-9-18(10-7-16)23-13-15-4-2-1-3-5-15/h1-5,8,11-12,14,16,18,23-24H,6-7,9-10,13H2/t16-,18-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 16n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102013
PNG
(Benzyl-[4-(5-fluoro-1H-indol-3-yl)-cyclohexyl]-ami...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1 |wU:8.7,11.14,(-1.9,-7.04,;-.57,-7.81,;-.6,-9.37,;.73,-10.14,;2.08,-9.39,;3.55,-9.88,;4.46,-8.64,;3.57,-7.39,;4.04,-5.93,;5.58,-5.64,;6.04,-4.17,;5.02,-3.01,;3.5,-3.34,;3.04,-4.8,;5.51,-1.56,;7,-1.26,;8.02,-2.4,;9.54,-2.07,;10.56,-3.24,;10.07,-4.68,;8.56,-5.01,;7.53,-3.84,;2.1,-7.86,;.75,-7.07,)|
Show InChI InChI=1S/C21H23FN2/c22-17-8-11-21-19(12-17)20(14-24-21)16-6-9-18(10-7-16)23-13-15-4-2-1-3-5-15/h1-5,8,11-12,14,16,18,23-24H,6-7,9-10,13H2/t16-,18+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 21n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102001
PNG
(3-(4-Piperidin-1-yl-cyclohexyl)-1H-indole-5-carbon...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCCCC3)c2c1 |wU:12.15,9.8,(-3.7,-6.91,;-2.37,-7.68,;-1.03,-8.47,;-1.04,-10.01,;.29,-10.79,;1.63,-10.02,;3.1,-10.51,;4.01,-9.29,;3.13,-8.03,;3.6,-6.56,;5.13,-6.26,;5.6,-4.81,;4.58,-3.65,;3.06,-3.97,;2.59,-5.42,;5.06,-2.19,;4.04,-1.05,;4.53,.41,;6.03,.72,;7.05,-.43,;6.58,-1.87,;1.66,-8.5,;.3,-7.71,)|
Show InChI InChI=1S/C20H25N3/c21-13-15-4-9-20-18(12-15)19(14-22-20)16-5-7-17(8-6-16)23-10-2-1-3-11-23/h4,9,12,14,16-17,22H,1-3,5-8,10-11H2/t16-,17+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 22n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102021
PNG
(3-(4-Benzylamino-cyclohexyl)-1H-indole-5-carbonitr...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1 |wU:9.8,wD:12.15,(-3.24,-6.28,;-1.9,-7.04,;-.57,-7.81,;-.6,-9.37,;.73,-10.14,;2.08,-9.39,;3.55,-9.88,;4.46,-8.64,;3.57,-7.39,;4.04,-5.93,;3.04,-4.8,;3.5,-3.34,;5.02,-3.01,;6.04,-4.17,;5.58,-5.64,;5.51,-1.56,;7,-1.26,;8.02,-2.4,;7.53,-3.84,;8.56,-5.01,;10.07,-4.68,;10.56,-3.24,;9.54,-2.07,;2.1,-7.86,;.75,-7.07,)|
Show InChI InChI=1S/C22H23N3/c23-13-17-6-11-22-20(12-17)21(15-25-22)18-7-9-19(10-8-18)24-14-16-4-2-1-3-5-16/h1-6,11-12,15,18-19,24-25H,7-10,14H2/t18-,19-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 25n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50102005
PNG
(2-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-6-methoxy-1,...)
Show SMILES COc1ccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc2c1
Show InChI InChI=1S/C21H23FN2O/c1-25-19-6-4-17-14-24(10-8-15(17)11-19)9-2-3-16-13-23-21-7-5-18(22)12-20(16)21/h4-7,11-13,23H,2-3,8-10,14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 58n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50102019
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:9.8,wD:12.15,(14.62,-2.1,;15.1,-3.56,;15.58,-5.02,;14.55,-6.17,;15.04,-7.64,;16.54,-7.95,;17.32,-9.29,;18.84,-8.96,;19,-7.42,;20.33,-6.64,;20.32,-5.11,;21.65,-4.34,;22.99,-5.11,;22.99,-6.65,;21.66,-7.42,;24.32,-4.34,;24.32,-2.8,;25.66,-2.04,;26.99,-2.81,;28.32,-2.05,;29.64,-2.82,;29.64,-4.36,;28.31,-5.12,;26.98,-4.35,;25.66,-5.11,;17.58,-6.79,;17.09,-5.33,)|
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 88n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102022
PNG
(Benzyl-[4-(1H-indol-3-yl)-cyclohexyl]-amine | CHEM...)
Show SMILES C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)c1ccccc1 |wU:5.8,wD:2.1,(13.16,-1.22,;11.65,-1.54,;11.18,-2.99,;9.67,-3.32,;9.19,-4.77,;10.2,-5.91,;11.72,-5.61,;12.2,-4.15,;9.71,-7.38,;10.6,-8.63,;9.69,-9.85,;8.22,-9.36,;6.89,-10.13,;5.56,-9.35,;5.58,-7.81,;6.9,-7.05,;8.26,-7.85,;14.19,-2.38,;13.69,-3.83,;14.72,-4.98,;16.24,-4.65,;16.73,-3.2,;15.71,-2.05,)|
Show InChI InChI=1S/C21H24N2/c1-2-6-16(7-3-1)14-22-18-12-10-17(11-13-18)20-15-23-21-9-5-4-8-19(20)21/h1-9,15,17-18,22-23H,10-14H2/t17-,18-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 107n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50102002
PNG
(3-[4-(7-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CCN(Cc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:15.20,wD:12.13,(2.56,-10.89,;4.08,-10.89,;4.86,-9.57,;4.08,-8.22,;4.86,-6.89,;6.38,-6.89,;7.17,-5.57,;8.7,-5.57,;9.47,-6.92,;8.7,-8.24,;7.15,-8.24,;6.38,-9.57,;11,-6.92,;11.77,-8.24,;13.31,-8.24,;14.08,-6.92,;13.31,-5.59,;11.78,-5.57,;15.62,-6.92,;16.1,-8.38,;17.64,-8.38,;18.11,-6.92,;19.5,-6.29,;19.67,-4.75,;18.41,-3.85,;17.01,-4.47,;16.87,-6.01,;18.56,-2.31,;18.71,-.78,)|
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-18-10-11-28(16-20(18)13-22)21-6-3-19(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,19,21,27H,3-4,6-7,10-11,16H2,1H3/t19-,21-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 113n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102020
PNG
(3-(4-Piperidin-1-yl-cyclohexyl)-1H-indole-5-carbon...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCCCC3)c2c1 |wU:9.8,wD:12.15,(6.73,-9.37,;8.07,-10.14,;9.41,-10.92,;9.4,-12.46,;10.73,-13.24,;12.08,-12.47,;13.55,-12.96,;14.46,-11.73,;13.57,-10.49,;14.05,-9.02,;13.03,-7.87,;13.51,-6.42,;15.03,-6.1,;16.05,-7.25,;15.58,-8.71,;15.51,-4.63,;14.48,-3.49,;14.97,-2.03,;16.47,-1.71,;17.49,-2.87,;17.03,-4.32,;12.1,-10.95,;10.74,-10.16,)|
Show InChI InChI=1S/C20H25N3/c21-13-15-4-9-20-18(12-15)19(14-22-20)16-5-7-17(8-6-16)23-10-2-1-3-11-23/h4,9,12,14,16-17,22H,1-3,5-8,10-11H2/t16-,17-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 152n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102018
PNG
(3-(4-Piperidin-1-yl-cyclohex-1-enyl)-1H-indole-5-c...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCC(CC3)N3CCCCC3)c2c1 |t:9|
Show InChI InChI=1S/C20H23N3/c21-13-15-4-9-20-18(12-15)19(14-22-20)16-5-7-17(8-6-16)23-10-2-1-3-11-23/h4-5,9,12,14,17,22H,1-3,6-8,10-11H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 178n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50102008
PNG
(3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:15.20,wD:12.13,(32.14,4.98,;30.81,5.75,;29.47,4.98,;29.47,3.44,;28.13,2.68,;26.81,3.46,;25.49,2.69,;24.15,3.46,;24.15,5,;25.49,5.76,;26.82,4.99,;28.15,5.75,;22.82,2.69,;21.48,3.46,;20.15,2.69,;20.15,1.16,;21.49,.38,;22.82,1.15,;18.82,.38,;18.67,-1.16,;17.15,-1.49,;16.37,-.15,;14.86,.16,;14.38,1.63,;15.41,2.78,;16.92,2.47,;17.4,1.01,;14.93,4.24,;14.45,5.7,)|
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 228n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50102010
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)|
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 337n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102004
PNG
(Benzyl-[4-(1H-indol-3-yl)-cyclohexyl]-amine | CHEM...)
Show SMILES C(N[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12)c1ccccc1 |wU:5.8,2.1,(13.16,-1.22,;11.65,-1.54,;11.18,-2.99,;12.2,-4.15,;11.72,-5.61,;10.2,-5.91,;9.19,-4.77,;9.67,-3.32,;9.71,-7.38,;10.6,-8.63,;9.69,-9.85,;8.22,-9.36,;6.89,-10.13,;5.56,-9.35,;5.58,-7.81,;6.9,-7.05,;8.26,-7.85,;14.19,-2.38,;13.69,-3.83,;14.72,-4.98,;16.24,-4.65,;16.73,-3.2,;15.71,-2.05,)|
Show InChI InChI=1S/C21H24N2/c1-2-6-16(7-3-1)14-22-18-12-10-17(11-13-18)20-15-23-21-9-5-4-8-19(20)21/h1-9,15,17-18,22-23H,10-14H2/t17-,18+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 855n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%