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BDBM50442756 CHEMBL2443000

SMILES: COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1

InChI Key: InChIKey=BGXXETBYBGTKEP-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50442756   
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
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442756
PNG
(CHEMBL2443000)
Show SMILES COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1
Show InChI InChI=1S/C20H30FN5O3/c1-27-20-5-3-2-4-19(20)25-9-7-24(8-10-25)16-18-17-26(23-22-18)11-13-29-15-14-28-12-6-21/h2-5,17H,6-16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
490n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50442756
PNG
(CHEMBL2443000)
Show SMILES COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1
Show InChI InChI=1S/C20H30FN5O3/c1-27-20-5-3-2-4-19(20)25-9-7-24(8-10-25)16-18-17-26(23-22-18)11-13-29-15-14-28-12-6-21/h2-5,17H,6-16H2,1H3
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50442756
PNG
(CHEMBL2443000)
Show SMILES COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1
Show InChI InChI=1S/C20H30FN5O3/c1-27-20-5-3-2-4-19(20)25-9-7-24(8-10-25)16-18-17-26(23-22-18)11-13-29-15-14-28-12-6-21/h2-5,17H,6-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.10E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50442756
PNG
(CHEMBL2443000)
Show SMILES COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1
Show InChI InChI=1S/C20H30FN5O3/c1-27-20-5-3-2-4-19(20)25-9-7-24(8-10-25)16-18-17-26(23-22-18)11-13-29-15-14-28-12-6-21/h2-5,17H,6-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2long receptor expressed in CHO cells


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
BDBM50442756
PNG
(CHEMBL2443000)
Show SMILES COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1
Show InChI InChI=1S/C20H30FN5O3/c1-27-20-5-3-2-4-19(20)25-9-7-24(8-10-25)16-18-17-26(23-22-18)11-13-29-15-14-28-12-6-21/h2-5,17H,6-16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor in pig striatal membrane


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair