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PubMed code 30975505

Compile data set for download or QSAR
Found 7 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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM430732
PNG
((R)-(4-fluorophenyl)(8-methyl-3-(quinolin-2-yl)-5,...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN5O/c1-14-20-25-26-21(19-11-8-15-4-2-3-5-18(15)24-19)28(20)13-12-27(14)22(29)16-6-9-17(23)10-7-16/h2-11,14H,12-13H2,1H3/t14-/m1/s1
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Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calciu...


Bioorg Med Chem 27: 2019-2026 (2019)


Article DOI: 10.1016/j.bmc.2019.03.059
BindingDB Entry DOI: 10.7270/Q26T0R36
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50524029
PNG
(CHEMBL4567857)
Show SMILES CC1N(CCc2c1nnn2-c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN5O/c1-14-21-19(12-13-27(14)22(29)16-6-9-17(23)10-7-16)28(26-25-21)20-11-8-15-4-2-3-5-18(15)24-20/h2-11,14H,12-13H2,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calciu...


Bioorg Med Chem 27: 2019-2026 (2019)


Article DOI: 10.1016/j.bmc.2019.03.059
BindingDB Entry DOI: 10.7270/Q26T0R36
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50524033
PNG
(CHEMBL4558106)
Show SMILES CC1N(CCc2c1onc2-c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H18FN3O2/c1-14-22-18(12-13-27(14)23(28)16-6-9-17(24)10-7-16)21(26-29-22)20-11-8-15-4-2-3-5-19(15)25-20/h2-11,14H,12-13H2,1H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calciu...


Bioorg Med Chem 27: 2019-2026 (2019)


Article DOI: 10.1016/j.bmc.2019.03.059
BindingDB Entry DOI: 10.7270/Q26T0R36
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50524032
PNG
(CHEMBL4569878)
Show SMILES CC1N(CCc2c1noc2-c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H18FN3O2/c1-14-21-18(12-13-27(14)23(28)16-6-9-17(24)10-7-16)22(29-26-21)20-11-8-15-4-2-3-5-19(15)25-20/h2-11,14H,12-13H2,1H3
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n/an/a 1.03E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calciu...


Bioorg Med Chem 27: 2019-2026 (2019)


Article DOI: 10.1016/j.bmc.2019.03.059
BindingDB Entry DOI: 10.7270/Q26T0R36
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50524031
PNG
(CHEMBL4437427)
Show SMILES C[C@H]1N(CCc2c1noc2-c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14-21-18(12-13-27(14)23(28)16-6-9-17(24)10-7-16)22(29-26-21)20-11-8-15-4-2-3-5-19(15)25-20/h2-11,14H,12-13H2,1H3/t14-/m1/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calciu...


Bioorg Med Chem 27: 2019-2026 (2019)


Article DOI: 10.1016/j.bmc.2019.03.059
BindingDB Entry DOI: 10.7270/Q26T0R36
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50524030
PNG
(CHEMBL4516772)
Show SMILES C[C@@H]1N(CCc2c1noc2-c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14-21-18(12-13-27(14)23(28)16-6-9-17(24)10-7-16)22(29-26-21)20-11-8-15-4-2-3-5-19(15)25-20/h2-11,14H,12-13H2,1H3/t14-/m0/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calciu...


Bioorg Med Chem 27: 2019-2026 (2019)


Article DOI: 10.1016/j.bmc.2019.03.059
BindingDB Entry DOI: 10.7270/Q26T0R36
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50524032
PNG
(CHEMBL4569878)
Show SMILES CC1N(CCc2c1noc2-c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H18FN3O2/c1-14-21-18(12-13-27(14)23(28)16-6-9-17(24)10-7-16)22(29-26-21)20-11-8-15-4-2-3-5-19(15)25-20/h2-11,14H,12-13H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux under UV-...


Bioorg Med Chem 27: 2019-2026 (2019)


Article DOI: 10.1016/j.bmc.2019.03.059
BindingDB Entry DOI: 10.7270/Q26T0R36
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%