BindingDB logo
myBDB logout

8 similar compounds to monomer 50006226

Compile data set for download or QSAR
Wt: 524.8
BDBM50006227
Wt: 398.9
BDBM50006230
Wt: 424.9
BDBM50006231
Wt: 428.9
BDBM50006238
Wt: 428.9
BDBM50027011
Wt: 469.0
BDBM50107325
Wt: 398.9
BDBM50127397
Wt: 418.3
BDBM50130347

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50006227,50006230,50006231,50006238,50027011,50107325,50127397,50130347   
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))
BDBM50027011
PNG
(CHEMBL2310926)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=S
Show InChI InChI=1S/C23H25ClN2O2S/c1-26-19-10-11-21(26)22(20(14-19)16-4-6-17(24)7-5-16)23(27)28-13-12-15-2-8-18(25-29)9-3-15/h2-9,19-22H,10-14H2,1H3/t19-,20-,21?,22?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.650n/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


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50130347
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)c(Cl)c1)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C23H25Cl2NO2/c1-26-17-8-10-21(26)22(18(14-17)16-7-9-19(24)20(25)13-16)23(27)28-12-11-15-5-3-2-4-6-15/h2-7,9,13,17-18,21-22H,8,10-12,14H2,1H3/t17?,18-,21?,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro dopamine transporter binding affinity using [3H]WIN-35428 as radioligand was determined


J Med Chem 46: 2908-16 (2003)


Article DOI: 10.1021/jm0300375
BindingDB Entry DOI: 10.7270/Q2BG2PQ0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50107325
PNG
(3-(4-Chloro-phenyl)-8-[4-(4-isothiocyanato-phenyl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2CCCCc1ccc(cc1)N=C=S
Show InChI InChI=1S/C26H29ClN2O2S/c1-31-26(30)25-23(19-7-9-20(27)10-8-19)16-22-13-14-24(25)29(22)15-3-2-4-18-5-11-21(12-6-18)28-17-32/h5-12,22-25H,2-4,13-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35 428 binding at dopamine transporter (DAT) in rat caudate putamen


J Med Chem 44: 4453-61 (2001)


Article DOI: 10.1021/jm0101904
BindingDB Entry DOI: 10.7270/Q2F47PV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50130347
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)c(Cl)c1)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C23H25Cl2NO2/c1-26-17-8-10-21(26)22(18(14-17)16-7-9-19(24)20(25)13-16)23(27)28-12-11-15-5-3-2-4-6-15/h2-7,9,13,17-18,21-22H,8,10-12,14H2,1H3/t17?,18-,21?,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter


J Med Chem 46: 2908-16 (2003)


Article DOI: 10.1021/jm0300375
BindingDB Entry DOI: 10.7270/Q2BG2PQ0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50027011
PNG
(CHEMBL2310926)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=S
Show InChI InChI=1S/C23H25ClN2O2S/c1-26-19-10-11-21(26)22(20(14-19)16-4-6-17(24)7-5-16)23(27)28-13-12-15-2-8-18(25-29)9-3-15/h2-9,19-22H,10-14H2,1H3/t19-,20-,21?,22?/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
843n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity for norepinephrine transporter determined by [3H]nisoxetine displacement.


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006238
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H25ClN2O4/c1-25-19-10-11-21(25)22(20(14-19)16-4-6-17(24)7-5-16)23(27)30-13-12-15-2-8-18(9-3-15)26(28)29/h2-9,19-22H,10-14H2,1H3/t19?,20-,21?,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 35: 1813-7 (1992)


Article DOI: 10.1021/jm00088a017
BindingDB Entry DOI: 10.7270/Q29024D6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50127397
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N)cc1
Show InChI InChI=1S/C23H27ClN2O2/c1-26-19-10-11-21(26)22(20(14-19)16-4-6-17(24)7-5-16)23(27)28-13-12-15-2-8-18(25)9-3-15/h2-9,19-22H,10-14,25H2,1H3/t19-,20-,21?,22?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20n/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


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50130347
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)c(Cl)c1)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C23H25Cl2NO2/c1-26-17-8-10-21(26)22(18(14-17)16-7-9-19(24)20(25)13-16)23(27)28-12-11-15-5-3-2-4-6-15/h2-7,9,13,17-18,21-22H,8,10-12,14H2,1H3/t17?,18-,21?,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro potency for inhibiting [3H]- dopamine uptake in rat brain was determined


J Med Chem 46: 2908-16 (2003)


Article DOI: 10.1021/jm0300375
BindingDB Entry DOI: 10.7270/Q2BG2PQ0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006231
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C23H25ClN4O2/c1-28-19-10-11-21(28)22(20(14-19)16-4-6-17(24)7-5-16)23(29)30-13-12-15-2-8-18(9-3-15)26-27-25/h2-9,19-22H,10-14H2,1H3/t19?,20-,21?,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 35: 1813-7 (1992)


Article DOI: 10.1021/jm00088a017
BindingDB Entry DOI: 10.7270/Q29024D6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006227
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N)c(I)c1
Show InChI InChI=1S/C23H26ClIN2O2/c1-27-17-7-9-21(27)22(18(13-17)15-3-5-16(24)6-4-15)23(28)29-11-10-14-2-8-20(26)19(25)12-14/h2-6,8,12,17-18,21-22H,7,9-11,13,26H2,1H3/t17?,18-,21?,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 35: 1813-7 (1992)


Article DOI: 10.1021/jm00088a017
BindingDB Entry DOI: 10.7270/Q29024D6
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50027011
PNG
(CHEMBL2310926)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=S
Show InChI InChI=1S/C23H25ClN2O2S/c1-26-19-10-11-21(26)22(20(14-19)16-4-6-17(24)7-5-16)23(27)28-13-12-15-2-8-18(25-29)9-3-15/h2-9,19-22H,10-14H2,1H3/t19-,20-,21?,22?/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50027011
PNG
(CHEMBL2310926)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=S
Show InChI InChI=1S/C23H25ClN2O2S/c1-26-19-10-11-21(26)22(20(14-19)16-4-6-17(24)7-5-16)23(27)28-13-12-15-2-8-18(25-29)9-3-15/h2-9,19-22H,10-14H2,1H3/t19-,20-,21?,22?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30n/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


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50027011
PNG
(CHEMBL2310926)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=S
Show InChI InChI=1S/C23H25ClN2O2S/c1-26-19-10-11-21(26)22(20(14-19)16-4-6-17(24)7-5-16)23(27)28-13-12-15-2-8-18(25-29)9-3-15/h2-9,19-22H,10-14H2,1H3/t19-,20-,21?,22?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006230
PNG
(2-(4-aminophenyl)ethyl (2S,3S)-3-(4-chlorophenyl)-...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N)cc1
Show InChI InChI=1S/C23H27ClN2O2/c1-26-19-10-11-21(26)22(20(14-19)16-4-6-17(24)7-5-16)23(27)28-13-12-15-2-8-18(25)9-3-15/h2-9,19-22H,10-14,25H2,1H3/t19?,20-,21?,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 35: 1813-7 (1992)


Article DOI: 10.1021/jm00088a017
BindingDB Entry DOI: 10.7270/Q29024D6
More data for this
Ligand-Target Pair