new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 431 hits with Last Name = 'caldarone' and Initial = 'b'   
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
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
22n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50161764
PNG
((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...)
Show SMILES Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)|
Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
26n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nAChR (unknown origin)


J Med Chem 57: 8204-23 (2014)


Article DOI: 10.1021/jm401937a
BindingDB Entry DOI: 10.7270/Q2KW5HPX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
66n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50238765
PNG
(CHEMBL4072722)
Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
78n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL




J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
85n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
89n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
124n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
125n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to rat alpha7 nACHR at 10 uM


J Med Chem 55: 812-23 (2012)


Article DOI: 10.1021/jm201301h
BindingDB Entry DOI: 10.7270/Q2WW7JS7
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
189n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
203n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
242n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
246n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
254n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
257n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
268n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50045045
PNG
(CHEMBL3341965)
Show SMILES [H][C@]12C[C@]([H])(CNC1)c1cc(ccc21)C(F)(F)F |r|
Show InChI InChI=1/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>300n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Partial agonist activity at rat alpha7 nAChR


J Med Chem 57: 8204-23 (2014)


Article DOI: 10.1021/jm401937a
BindingDB Entry DOI: 10.7270/Q2KW5HPX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-6 subunit


(Rattus norvegicus)
BDBM50045045
PNG
(CHEMBL3341965)
Show SMILES [H][C@]12C[C@]([H])(CNC1)c1cc(ccc21)C(F)(F)F |r|
Show InChI InChI=1/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>300n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Partial agonist activity at rat alpha6 nAChR


J Med Chem 57: 8204-23 (2014)


Article DOI: 10.1021/jm401937a
BindingDB Entry DOI: 10.7270/Q2KW5HPX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50045044
PNG
(CHEMBL3341967)
Show SMILES Clc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C10H14ClN3/c11-9-6-10(8-13-7-9)14-4-1-2-12-3-5-14/h6-8,12H,1-5H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
399n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Partial agonist activity at alpha7 nAChR (unknown origin)


J Med Chem 57: 8204-23 (2014)


Article DOI: 10.1021/jm401937a
BindingDB Entry DOI: 10.7270/Q2KW5HPX
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50238765
PNG
(CHEMBL4072722)
Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
411n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL




J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50238765
PNG
(CHEMBL4072722)
Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC |r|
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
492n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spiperone from rat striatal membrane


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
655n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50032929
PNG
(CHEMBL3356152)
Show SMILES OC(=O)C(F)(F)F.[H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)[C@H]1C[C@@H]1CCOCC |r|
Show InChI InChI=1/C18H27N3O/c1-2-22-4-3-13-6-18(13)14-5-17(10-20-7-14)21-11-15-8-19-9-16(15)12-21/h5,7,10,13,15-16,18-19H,2-4,6,8-9,11-12H2,1H3/t13-,15-,16+,18-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
680n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat forebrain alpha7 nAChR by competition binding assay


ACS Med Chem Lett 5: 1196-201 (2014)


Article DOI: 10.1021/ml500129k
BindingDB Entry DOI: 10.7270/Q20C4XC1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50161764
PNG
((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...)
Show SMILES Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)|
Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
930n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of 5-HT3 receptor (unknown origin)


J Med Chem 57: 8204-23 (2014)


Article DOI: 10.1021/jm401937a
BindingDB Entry DOI: 10.7270/Q2KW5HPX
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50045044
PNG
(CHEMBL3341967)
Show SMILES Clc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C10H14ClN3/c11-9-6-10(8-13-7-9)14-4-1-2-12-3-5-14/h6-8,12H,1-5H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
944n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Partial agonist activity at alpha1 nAChR (unknown origin)


J Med Chem 57: 8204-23 (2014)


Article DOI: 10.1021/jm401937a
BindingDB Entry DOI: 10.7270/Q2KW5HPX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.04E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.85E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.12E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.61E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.71E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.72E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.73E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.78E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.78E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50394679
PNG
(CHEMBL2165444)
Show SMILES Cc1cc(OC[C@@H]2CCN2)on1 |r|
Show InChI InChI=1S/C8H12N2O2/c1-6-4-8(12-10-6)11-5-7-2-3-9-7/h4,7,9H,2-3,5H2,1H3/t7-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.89E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to rat alpha7 nACHR at 10 uM


J Med Chem 55: 812-23 (2012)


Article DOI: 10.1021/jm201301h
BindingDB Entry DOI: 10.7270/Q2WW7JS7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.26E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.82E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.40E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.44E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
5.89E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Partial agonist activity at alpha7 nAChR (unknown origin)


J Med Chem 57: 8204-23 (2014)


Article DOI: 10.1021/jm401937a
BindingDB Entry DOI: 10.7270/Q2KW5HPX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.78E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50355118
PNG
(CHEMBL1835609)
Show SMILES OCCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H19N3O3/c19-5-1-2-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-3-4-17-13/h6-9,13,17,19H,1-5,10H2/t13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor by radioligand displacement assay


J Med Chem 54: 7280-8 (2011)


Article DOI: 10.1021/jm200855b
BindingDB Entry DOI: 10.7270/Q2RB750M
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 431 total )  |  Next  |  Last  >>
Jump to: