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BDBM50421326 CHEMBL2088198

SMILES: CCc1cc2CC(Cc2cc1CC)NCCc1ccc(O)c2[nH]c(=O)ccc12

InChI Key: InChIKey=ZQWNZUAMWNPQGR-UHFFFAOYSA-N

Data: 2 KI  1 IC50  1 EC50

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 4 hits for monomerid = 50421326   
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-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50421326
PNG
(CHEMBL2088198)
Show SMILES CCc1cc2CC(Cc2cc1CC)NCCc1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C24H28N2O2/c1-3-15-11-18-13-20(14-19(18)12-16(15)4-2)25-10-9-17-5-7-22(27)24-21(17)6-8-23(28)26-24/h5-8,11-12,20,25,27H,3-4,9-10,13-14H2,1-2H3,(H,26,28)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
261n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50421326
PNG
(CHEMBL2088198)
Show SMILES CCc1cc2CC(Cc2cc1CC)NCCc1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C24H28N2O2/c1-3-15-11-18-13-20(14-19(18)12-16(15)4-2)25-10-9-17-5-7-22(27)24-21(17)6-8-23(28)26-24/h5-8,11-12,20,25,27H,3-4,9-10,13-14H2,1-2H3,(H,26,28)
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PC sid
UniChem
Article
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478n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50421326
PNG
(CHEMBL2088198)
Show SMILES CCc1cc2CC(Cc2cc1CC)NCCc1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C24H28N2O2/c1-3-15-11-18-13-20(14-19(18)12-16(15)4-2)25-10-9-17-5-7-22(27)24-21(17)6-8-23(28)26-24/h5-8,11-12,20,25,27H,3-4,9-10,13-14H2,1-2H3,(H,26,28)
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PC sid
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase in GTPgamma35S binding by scintillation proximity assay


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50421326
PNG
(CHEMBL2088198)
Show SMILES CCc1cc2CC(Cc2cc1CC)NCCc1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C24H28N2O2/c1-3-15-11-18-13-20(14-19(18)12-16(15)4-2)25-10-9-17-5-7-22(27)24-21(17)6-8-23(28)26-24/h5-8,11-12,20,25,27H,3-4,9-10,13-14H2,1-2H3,(H,26,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at beta2-adrenoceptor in guinea-pig tracheal-strip assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair