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SMILES: C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(Cl)cc12

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 3 hits for monomerid = 50547394   
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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50547394
PNG
(CHEMBL4756254)
Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(Cl)cc12 |r,c:2,t:9|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.480n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human dopamine D1 receptor


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50547394
PNG
(CHEMBL4756254)
Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(Cl)cc12 |r,c:2,t:9|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
98n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human dopamine D2 receptor


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50547394
PNG
(CHEMBL4756254)
Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(Cl)cc12 |r,c:2,t:9|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0
More data for this
Ligand-Target Pair