BindingDB logo
myBDB logout

PubMed code 11965364

Compile data set for download or QSAR
Found 36 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 dopamine transporter


(Rattus norvegicus (rat))		BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 11n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 12.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 13n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 16.8n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 17n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 23n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 49n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 133n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 133n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 269n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 269n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 610n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 642n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 642n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 690n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 690n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.02E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.02E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.86E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.89E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.04E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.04E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.23E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.23E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.68E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.68E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 3.26E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.74E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.74E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.38E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.38E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-nisoxatine radioligand for the Norepinephrin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.20E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.20E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-citalopram radioligand, for the Serotonin transporter in rat brain

Bioorg Med Chem Lett 12: 1249-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%