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SMILES: C1Oc2cc3CCN4Cc5[nH]c6ccccc6c5CC4c3cc2O1

InChI Key: InChIKey=KROMIZUJAJKGLD-UHFFFAOYSA-N

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 = 50195265   
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
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50195265
PNG
(CHEMBL3932187)
Show SMILES C1Oc2cc3CCN4Cc5[nH]c6ccccc6c5CC4c3cc2O1
Show InChI InChI=1S/C20H18N2O2/c1-2-4-16-13(3-1)15-8-18-14-9-20-19(23-11-24-20)7-12(14)5-6-22(18)10-17(15)21-16/h1-4,7,9,18,21H,5-6,8,10-11H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human full-length N-terminal SNAP-tagged alpha1D adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-indu...


J Med Chem 59: 9489-9502 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01217
BindingDB Entry DOI: 10.7270/Q2TB18VD
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50195265
PNG
(CHEMBL3932187)
Show SMILES C1Oc2cc3CCN4Cc5[nH]c6ccccc6c5CC4c3cc2O1
Show InChI InChI=1S/C20H18N2O2/c1-2-4-16-13(3-1)15-8-18-14-9-20-19(23-11-24-20)7-12(14)5-6-22(18)10-17(15)21-16/h1-4,7,9,18,21H,5-6,8,10-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 125n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human full-length N-terminal SNAP-tagged alpha1A adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-indu...


J Med Chem 59: 9489-9502 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01217
BindingDB Entry DOI: 10.7270/Q2TB18VD
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50195265
PNG
(CHEMBL3932187)
Show SMILES C1Oc2cc3CCN4Cc5[nH]c6ccccc6c5CC4c3cc2O1
Show InChI InChI=1S/C20H18N2O2/c1-2-4-16-13(3-1)15-8-18-14-9-20-19(23-11-24-20)7-12(14)5-6-22(18)10-17(15)21-16/h1-4,7,9,18,21H,5-6,8,10-11H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human full-length N-terminal SNAP-tagged alpha1B adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-indu...


J Med Chem 59: 9489-9502 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01217
BindingDB Entry DOI: 10.7270/Q2TB18VD
More data for this
Ligand-Target Pair