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2 similar compounds to monomer 50017721

Compile data set for download or QSAR
Wt: 275.3
BDBM112774
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Wt: 275.3
BDBM50097218

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 112774,50097218   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50097218
PNG
(4-(10H-Anthracen-9-ylidene)-1-methyl-piperidine | ...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C20H21N/c1-21-12-10-15(11-13-21)20-18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20/h2-9H,10-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor expressed NIH3T3 cells using [3H]-ketanserin


Bioorg Med Chem Lett 11: 563-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00010-5
BindingDB Entry DOI: 10.7270/Q29S1Q80
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM112774
PNG
(US8629135, SW-01)
Show SMILES CN(C)CCC=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.07E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM112774
PNG
(US8629135, SW-01)
Show SMILES CN(C)CCC=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 300n/an/an/an/a7.430



Queen's University at Kingston

US Patent


Assay Description
Approximately 5-20 μg of purified GST-RET proteins were incubated with 1 mM ATP in 20 μL kinase buffer (10 mM Tris-HCl, 5 mM MgCl2, pH 7.4)...


US Patent US8629135 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CVN
More data for this
Ligand-Target Pair