BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with Target = 'SLC6A3' AND taxid = 9913   
Target
(Institution)
LigandTarget
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
SLC6A3


(BOVINE)
BDBM50129952
PNG
(2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1
Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
877n/an/an/an/an/an/an/an/a



Westfälische Wilhelms-Universitä Muenster,

Curated by PDSP Ki Database




Psychopharmacology (Berl) 162: 193-202 (2002)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50333880
PNG
(CHEMBL1614664 | Hypericin | Pseudohypericin)
Show SMILES Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
Show InChI InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Westfälische Wilhelms-Universitä Muenster,

Curated by PDSP Ki Database




Psychopharmacology (Berl) 162: 193-202 (2002)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM85818
PNG
(Fluorocarazolol,(R) | Fluorocarazolol,(S))
Show SMILES CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 157: 111-4 (2001)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 99: 11934-9 (2002)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50217942
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...)
Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Westfälische Wilhelms-Universitä Muenster,

Curated by PDSP Ki Database




Psychopharmacology (Berl) 162: 193-202 (2002)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM84978
PNG
(Quercitrin | cid_5280459)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-24,26-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Westfälische Wilhelms-Universitä Muenster,

Curated by PDSP Ki Database




Psychopharmacology (Berl) 162: 193-202 (2002)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Westfälische Wilhelms-Universitä Muenster,

Curated by PDSP Ki Database




Psychopharmacology (Berl) 162: 193-202 (2002)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50333880
PNG
(CHEMBL1614664 | Hypericin | Pseudohypericin)
Show SMILES Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
Show InChI InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Westfälische Wilhelms-Universitä Muenster,

Curated by PDSP Ki Database




Psychopharmacology (Berl) 162: 193-202 (2002)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM86036
PNG
(CAS_5318390 | CAS_97331 | Hyperoside | Miquelianin...)
Show SMILES OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-25,27-30H,6H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Westfälische Wilhelms-Universitä Muenster,

Curated by PDSP Ki Database




Psychopharmacology (Berl) 162: 193-202 (2002)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM86036
PNG
(CAS_5318390 | CAS_97331 | Hyperoside | Miquelianin...)
Show SMILES OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-25,27-30H,6H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Westfälische Wilhelms-Universitä Muenster,

Curated by PDSP Ki Database




Psychopharmacology (Berl) 162: 193-202 (2002)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards DAT (bovine)


Bioorg Med Chem Lett 13: 4421-5 (2003)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50136493
PNG
(1-Methyl-4,9-dihydro-3H-beta-carboline | 1-methyl-...)
Show SMILES CC1=NCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards DAT (bovine)


Bioorg Med Chem Lett 13: 4421-5 (2003)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50132104
PNG
(6-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline |...)
Show SMILES COc1ccc2[nH]c3c(CCN=C3C)c2c1
Show InChI InChI=1S/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards DAT (bovine)


Bioorg Med Chem Lett 13: 4421-5 (2003)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50242259
PNG
(CHEMBL516641 | HYPERFORIN)
Show SMILES CC(C)C(=O)[C@]12C(=O)C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O
Show InChI InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-28H,12,16-17,19-21H2,1-11H3/t27-,28?,33+,34+,35+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Westfälische Wilhelms-Universitä Muenster,

Curated by PDSP Ki Database




Psychopharmacology (Berl) 162: 193-202 (2002)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM84979
PNG
(Isoquercitrin)
Show SMILES OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)20(21(30)32-13)33-19-16(28)14-11(26)4-8(23)5-12(14)31-18(19)7-1-2-9(24)10(25)3-7/h1-5,13,15,17,20-25,27-30H,6H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Westfälische Wilhelms-Universitä Muenster,

Curated by PDSP Ki Database




Psychopharmacology (Berl) 162: 193-202 (2002)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM85818
PNG
(Fluorocarazolol,(R) | Fluorocarazolol,(S))
Show SMILES CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 157: 111-4 (2001)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50011397
PNG
(8-Methyl-3-(3-nitro-phenylcarbamoyloxy)-8-aza-bicy...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1cccc(c1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C17H21N3O6/c1-19-11-6-7-13(19)15(16(21)25-2)14(9-11)26-17(22)18-10-4-3-5-12(8-10)20(23)24/h3-5,8,11,13-15H,6-7,9H2,1-2H3,(H,18,22)/t11-,13?,14+,15?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 37n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue


J Med Chem 34: 702-5 (1991)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 65n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue


J Med Chem 34: 702-5 (1991)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 139n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50015695
PNG
(3-(4-Amino-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 192n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50015692
PNG
(8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C16H20N2O4/c1-17-12-7-8-14(17)15(16(19)22-2)13(9-12)10-3-5-11(6-4-10)18(20)21/h3-6,12-15H,7-9H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 213n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50015692
PNG
(8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C16H20N2O4/c1-17-12-7-8-14(17)15(16(19)22-2)13(9-12)10-3-5-11(6-4-10)18(20)21/h3-6,12-15H,7-9H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 213n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50011396
PNG
(8-Methyl-3-(4-nitro-phenylcarbamoyloxy)-8-aza-bicy...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C17H21N3O6/c1-19-12-7-8-13(19)15(16(21)25-2)14(9-12)26-17(22)18-10-3-5-11(6-4-10)20(23)24/h3-6,12-15H,7-9H2,1-2H3,(H,18,22)/t12-,13?,14+,15?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue


J Med Chem 34: 702-5 (1991)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50011395
PNG
(3-(3-Amino-phenylcarbamoyloxy)-8-methyl-8-aza-bicy...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1cccc(N)c1)N2C
Show InChI InChI=1S/C17H23N3O4/c1-20-12-6-7-13(20)15(16(21)23-2)14(9-12)24-17(22)19-11-5-3-4-10(18)8-11/h3-5,8,12-15H,6-7,9,18H2,1-2H3,(H,19,22)/t12-,13?,14+,15?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 2.07E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue


J Med Chem 34: 702-5 (1991)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50011394
PNG
(8-Methyl-3-phenylcarbamoyloxy-8-aza-bicyclo[3.2.1]...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1ccccc1)N2C
Show InChI InChI=1S/C17H22N2O4/c1-19-12-8-9-13(19)15(16(20)22-2)14(10-12)23-17(21)18-11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3,(H,18,21)/t12-,13?,14+,15?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue


J Med Chem 34: 702-5 (1991)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50015694
PNG
(3-(2,4-Dinitro-phenyl)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)N2C
Show InChI InChI=1S/C16H19N3O6/c1-17-9-4-6-13(17)15(16(20)25-2)12(7-9)11-5-3-10(18(21)22)8-14(11)19(23)24/h3,5,8-9,12-13,15H,4,6-7H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)

More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50011398
PNG
(3-(4-Amino-phenylcarbamoyloxy)-8-methyl-8-aza-bicy...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1ccc(N)cc1)N2C
Show InChI InChI=1S/C17H23N3O4/c1-20-12-7-8-13(20)15(16(21)23-2)14(9-12)24-17(22)19-11-5-3-10(18)4-6-11/h3-6,12-15H,7-9,18H2,1-2H3,(H,19,22)/t12-,13?,14+,15?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 6.33E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue


J Med Chem 34: 702-5 (1991)

More data for this
Ligand-Target Pair