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BDBM50164683 CHEMBL3797887

SMILES: C[C@@H](c1cccc(c1)C#N)n1cc(Cl)cc(C(N)=O)c1=N

InChI Key: InChIKey=CDJPHTNUARAVMH-VIFPVBQESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50164683   
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))
BDBM50164683
PNG
(CHEMBL3797887)
Show SMILES C[C@@H](c1cccc(c1)C#N)n1cc(Cl)cc(C(N)=O)c1=N |r|
Show InChI InChI=1S/C15H13ClN4O/c1-9(11-4-2-3-10(5-11)7-17)20-8-12(16)6-13(14(20)18)15(19)21/h2-6,8-9,18H,1H3,(H2,19,21)/t9-/m0/s1
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PC cid
PC sid
UniChem
PubMed
130n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 7-methoxy-[3H]-prazosin from human alpha1D adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...


J Med Chem 59: 2989-3002 (2016)


BindingDB Entry DOI: 10.7270/Q20G3N2B
More data for this
Ligand-Target Pair