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BDBM50416875 AMG-073::AMG073 HCL::CINACALCET::CINACALCET HYDROCHLORIDE::US9487494, Cinacalcet

SMILES: C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12

InChI Key: InChIKey=VDHAWDNDOKGFTD-MRXNPFEDSA-N

Data: 2 IC50  4 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 6 hits for monomerid = 50416875   
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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50416875
PNG
(AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...)
Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
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US Patent
n/an/a 50n/an/an/an/a7.437



Leo Pharma A/S

US Patent


Assay Description
Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regener...


US Patent US9487494 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CX3
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50416875
PNG
(AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...)
Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
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antibodypedia
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Article
PubMed
n/an/an/an/a 320n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)
BDBM50416875
PNG
(AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...)
Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
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n/an/an/an/a 180n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...


Bioorg Med Chem Lett 28: 2055-2060 (2018)


BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416875
PNG
(AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...)
Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
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n/an/an/an/a 19.9n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Positive allosteric modulation of calcium sensing receptor by cell based assay


Bioorg Med Chem Lett 20: 5918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.077
BindingDB Entry DOI: 10.7270/Q22J6D4S
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50416875
PNG
(AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...)
Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6 expressed in bacterial membranes using AMMC as substrate preincubated for 10 mins followed by NADPH addition m...


Bioorg Med Chem Lett 28: 2055-2060 (2018)


BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416875
PNG
(AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...)
Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
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Article
PubMed
n/an/an/an/a 80n/an/an/an/a



Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 2451-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.078
BindingDB Entry DOI: 10.7270/Q2930VJZ
More data for this
Ligand-Target Pair