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BDBM50027072 CHEMBL3335535

SMILES: C(Cc1ccccc1)C1CN(Cc2nc3ccccc3[nH]2)CCO1

InChI Key: InChIKey=JVQBISWUXRKBAJ-UHFFFAOYSA-N

Data: 4 KI  4 IC50

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 8 hits for monomerid = 50027072   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50027072
PNG
(CHEMBL3335535)
Show SMILES C(Cc1ccccc1)C1CN(Cc2nc3ccccc3[nH]2)CCO1
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50027072
PNG
(CHEMBL3335535)
Show SMILES C(Cc1ccccc1)C1CN(Cc2nc3ccccc3[nH]2)CCO1
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D1 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50027072
PNG
(CHEMBL3335535)
Show SMILES C(Cc1ccccc1)C1CN(Cc2nc3ccccc3[nH]2)CCO1
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
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PC sid
UniChem

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Article
PubMed
1.08E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D3 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50027072
PNG
(CHEMBL3335535)
Show SMILES C(Cc1ccccc1)C1CN(Cc2nc3ccccc3[nH]2)CCO1
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50027072
PNG
(CHEMBL3335535)
Show SMILES C(Cc1ccccc1)C1CN(Cc2nc3ccccc3[nH]2)CCO1
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D1 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50027072
PNG
(CHEMBL3335535)
Show SMILES C(Cc1ccccc1)C1CN(Cc2nc3ccccc3[nH]2)CCO1
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50027072
PNG
(CHEMBL3335535)
Show SMILES C(Cc1ccccc1)C1CN(Cc2nc3ccccc3[nH]2)CCO1
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.18E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D3 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50027072
PNG
(CHEMBL3335535)
Show SMILES C(Cc1ccccc1)C1CN(Cc2nc3ccccc3[nH]2)CCO1
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair