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PubMed code 26752095

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium sensing receptor


(Rattus norvegicus)
BDBM50140173
PNG
(CHEMBL3753306)
Show SMILES C[C@@H](NCc1cc2cccc([N+]([O-])=O)c2[nH]1)c1cccc2ccccc12 |r|
Show InChI InChI=1/C21H19N3O2/c1-14(18-10-4-7-15-6-2-3-9-19(15)18)22-13-17-12-16-8-5-11-20(24(25)26)21(16)23-17/h2-12,14,22-23H,13H2,1H3/t14-/s2
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CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50139126
PNG
(CHEMBL3753320)
Show SMILES CC(NCc1cc2ccccc2[nH]1)c1ccc(F)c2ccccc12
Show InChI InChI=1/C21H19FN2/c1-14(17-10-11-20(22)19-8-4-3-7-18(17)19)23-13-16-12-15-6-2-5-9-21(15)24-16/h2-12,14,23-24H,13H2,1H3
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CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50139127
PNG
(CHEMBL3753595)
Show SMILES C[C@@H](NCc1cc2cc(O)ccc2[nH]1)c1cccc2ccccc12 |r|
Show InChI InChI=1/C21H20N2O/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)22-13-17-11-16-12-18(24)9-10-21(16)23-17/h2-12,14,22-24H,13H2,1H3/t14-/s2
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CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50140170
PNG
(CHEMBL3754639)
Show SMILES C[C@@H](NCc1cc2c(O)cccc2[nH]1)c1cccc2ccccc12 |r|
Show InChI InChI=1/C21H20N2O/c1-14(17-9-4-7-15-6-2-3-8-18(15)17)22-13-16-12-19-20(23-16)10-5-11-21(19)24/h2-12,14,22-24H,13H2,1H3/t14-/s2
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CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50140173
PNG
(CHEMBL3753306)
Show SMILES C[C@@H](NCc1cc2cccc([N+]([O-])=O)c2[nH]1)c1cccc2ccccc12 |r|
Show InChI InChI=1/C21H19N3O2/c1-14(18-10-4-7-15-6-2-3-9-19(15)18)22-13-17-12-16-8-5-11-20(24(25)26)21(16)23-17/h2-12,14,22-23H,13H2,1H3/t14-/s2
PDB

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CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50139127
PNG
(CHEMBL3753595)
Show SMILES C[C@@H](NCc1cc2cc(O)ccc2[nH]1)c1cccc2ccccc12 |r|
Show InChI InChI=1/C21H20N2O/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)22-13-17-11-16-12-18(24)9-10-21(16)23-17/h2-12,14,22-24H,13H2,1H3/t14-/s2
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CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50140170
PNG
(CHEMBL3754639)
Show SMILES C[C@@H](NCc1cc2c(O)cccc2[nH]1)c1cccc2ccccc12 |r|
Show InChI InChI=1/C21H20N2O/c1-14(17-9-4-7-15-6-2-3-8-18(15)17)22-13-16-12-19-20(23-16)10-5-11-21(19)24/h2-12,14,22-24H,13H2,1H3/t14-/s2
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n/an/an/an/a 102n/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50140175
PNG
(CHEMBL3753729)
Show SMILES C[C@@H](NCc1cc2c(cccc2[nH]1)-c1ccccc1)c1cccc2ccccc12 |r|
Show InChI InChI=1/C27H24N2/c1-19(23-14-7-12-21-11-5-6-13-24(21)23)28-18-22-17-26-25(15-8-16-27(26)29-22)20-9-3-2-4-10-20/h2-17,19,28-29H,18H2,1H3/t19-/s2
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CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50404271
PNG
(CHEMBL2092942)
Show SMILES C[C@@H](NCc1cc2ccccc2[nH]1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C21H20N2/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18/h2-13,15,22-23H,14H2,1H3/t15-/m1/s1
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CHEMBL
PC cid
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PubMed
n/an/an/an/a 132n/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50404271
PNG
(CHEMBL2092942)
Show SMILES C[C@@H](NCc1cc2ccccc2[nH]1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C21H20N2/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18/h2-13,15,22-23H,14H2,1H3/t15-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 132n/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50139126
PNG
(CHEMBL3753320)
Show SMILES CC(NCc1cc2ccccc2[nH]1)c1ccc(F)c2ccccc12
Show InChI InChI=1/C21H19FN2/c1-14(17-10-11-20(22)19-8-4-3-7-18(17)19)23-13-16-12-15-6-2-5-9-21(15)24-16/h2-12,14,23-24H,13H2,1H3
PDB

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n/an/an/an/a 132n/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50140175
PNG
(CHEMBL3753729)
Show SMILES C[C@@H](NCc1cc2c(cccc2[nH]1)-c1ccccc1)c1cccc2ccccc12 |r|
Show InChI InChI=1/C27H24N2/c1-19(23-14-7-12-21-11-5-6-13-24(21)23)28-18-22-17-26-25(15-8-16-27(26)29-22)20-9-3-2-4-10-20/h2-17,19,28-29H,18H2,1H3/t19-/s2
PDB

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n/an/an/an/a 136n/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...


Bioorg Med Chem 24: 554-69 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%