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BDBM50207160 CHEMBL3962525

SMILES: CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1

InChI Key: InChIKey=KHUQUWFRCNWUQH-WGSAOQKQSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50207160   
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
Dopamine receptor


(Homo sapiens (Human))
BDBM50207160
PNG
(CHEMBL3962525)
Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C23H34N4OS/c1-2-5-22(28)24-19-10-8-18(9-11-19)12-13-26-14-16-27(17-15-26)23-20-6-3-4-7-21(20)29-25-23/h3-4,6-7,18-19H,2,5,8-17H2,1H3,(H,24,28)/t18-,19-
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Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50207160
PNG
(CHEMBL3962525)
Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C23H34N4OS/c1-2-5-22(28)24-19-10-8-18(9-11-19)12-13-26-14-16-27(17-15-26)23-20-6-3-4-7-21(20)29-25-23/h3-4,6-7,18-19H,2,5,8-17H2,1H3,(H,24,28)/t18-,19-
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PC sid
UniChem

Similars

Article
PubMed
0.870n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting meth...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50207160
PNG
(CHEMBL3962525)
Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C23H34N4OS/c1-2-5-22(28)24-19-10-8-18(9-11-19)12-13-26-14-16-27(17-15-26)23-20-6-3-4-7-21(20)29-25-23/h3-4,6-7,18-19H,2,5,8-17H2,1H3,(H,24,28)/t18-,19-
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UniChem

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Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50207160
PNG
(CHEMBL3962525)
Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C23H34N4OS/c1-2-5-22(28)24-19-10-8-18(9-11-19)12-13-26-14-16-27(17-15-26)23-20-6-3-4-7-21(20)29-25-23/h3-4,6-7,18-19H,2,5,8-17H2,1H3,(H,24,28)/t18-,19-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from recombinant human D2L receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair