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BDBM50127392 3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL50858

InChI string: InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1

SMILES: COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C

InChI Key: InChIKey=VMITZEMDDZVHBZ-KCNJBTMXSA-N

Data: 2 KI  6 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50127392   
Target
(Institution)
LigandTarget
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))
BDBM50127392
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1
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Article
PubMed
0.950n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding at serotonin transporter was determined


Citation and Details
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127392
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1
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PubMed
2.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50127392
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding at serotonin transporter was determined


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50127392
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding at serotonin transporter was determined


Citation and Details
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127392
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1
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Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding at norepinephrine transporter


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50127392
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1
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UniChem

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Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Norepinephrine (NA) reuptake using cloned human Norepinephrine transporter was determined


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50127392
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1
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Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of dopamine (DA) reuptake using cloned human dopamine transporter was determined


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


(Rattus norvegicus (rat))
BDBM50127392
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1
Reactome pathway
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.810n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding at dopamine transporter was determined


Citation and Details
More data for this
Ligand-Target Pair