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BDBM50190600 CHEMBL378437::cis-(3R,6R)-(6-benzhydryl-tetrahydropyran-3-yl)-(1H-indol-5-ylmethyl)amine

SMILES: C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1

InChI Key: InChIKey=UJBRKEMHKNOCKI-AOYPEHQESA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50190600   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190600
PNG
(CHEMBL378437 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m1/s1
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12n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)

More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50190600
PNG
(CHEMBL378437 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m1/s1
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16n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50190600
PNG
(CHEMBL378437 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m1/s1
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142n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50190600
PNG
(CHEMBL378437 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m1/s1
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PubMed
467n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)

More data for this
Ligand-Target Pair