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SMILES: COc1cccc(c1)N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1

InChI Key:

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 = 50600054   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50600054
PNG
(CHEMBL5209272)
Show SMILES COc1cccc(c1)N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50600054
PNG
(CHEMBL5209272)
Show SMILES COc1cccc(c1)N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
234n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50600054
PNG
(CHEMBL5209272)
Show SMILES COc1cccc(c1)N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
263n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50600054
PNG
(CHEMBL5209272)
Show SMILES COc1cccc(c1)N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50600054
PNG
(CHEMBL5209272)
Show SMILES COc1cccc(c1)N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50600054
PNG
(CHEMBL5209272)
Show SMILES COc1cccc(c1)N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 126n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50600054
PNG
(CHEMBL5209272)
Show SMILES COc1cccc(c1)N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.51E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50600054
PNG
(CHEMBL5209272)
Show SMILES COc1cccc(c1)N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.08E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair