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PubMed code 21320776

Compile data set for download or QSAR
Found 40 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))		BDBM50338370
PNG
((S)-3-(methylsulfonyl)-2-phenyl-N-(1-phenylpropyl)...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N2O3S/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(25(23)32(2,30)31)19-14-8-5-9-15-19/h4-17,21H,3H2,1-2H3,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338403
PNG
(3-(methylsulfinyl)-2-phenyl-N-((S)-1-(pyridin-2-yl...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)S(C)=O)c1ccccn1 |r|
Show InChI InChI=1S/C25H23N3O2S/c1-3-19(21-15-9-10-16-26-21)28-25(29)22-18-13-7-8-14-20(18)27-23(24(22)31(2)30)17-11-5-4-6-12-17/h4-16,19H,3H2,1-2H3,(H,28,29)/t19-,31?/m0/s1
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n/an/an/an/a 77n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338390
PNG
(8-methyl-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phen...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2c(C)cccc12)-c1ccccc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H26N2O2S/c1-4-22(19-13-7-5-8-14-19)28-27(30)23-21-17-11-12-18(2)24(21)29-25(26(23)32(3)31)20-15-9-6-10-16-20/h5-17,22H,4H2,1-3H3,(H,28,30)/t22-,32?/m0/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338371
PNG
((S)-3-(methylthiomethyl)-2-phenyl-N-(1-phenylpropy...)
Show SMILES CC[C@H](NC(=O)c1c(CSC)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H26N2OS/c1-3-23(19-12-6-4-7-13-19)29-27(30)25-21-16-10-11-17-24(21)28-26(22(25)18-31-2)20-14-8-5-9-15-20/h4-17,23H,3,18H2,1-2H3,(H,29,30)/t23-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338375
PNG
(3-(2-(methylsulfinyl)ethyl)-2-phenyl-N-((S)-1-phen...)
Show SMILES CC[C@H](NC(=O)c1c(CCS(C)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H28N2O2S/c1-3-24(20-12-6-4-7-13-20)30-28(31)26-22-16-10-11-17-25(22)29-27(21-14-8-5-9-15-21)23(26)18-19-33(2)32/h4-17,24H,3,18-19H2,1-2H3,(H,30,31)/t24-,33?/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338376
PNG
(2-(2-fluorophenyl)-3-(methylsulfinyl)-N-((S)-1-phe...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1F)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H23FN2O2S/c1-3-21(17-11-5-4-6-12-17)29-26(30)23-19-14-8-10-16-22(19)28-24(25(23)32(2)31)18-13-7-9-15-20(18)27/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
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n/an/an/an/a 81n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338386
PNG
(3-(ethylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)q...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)S(=O)CC)c1ccccc1 |r|
Show InChI InChI=1S/C27H26N2O2S/c1-3-22(19-13-7-5-8-14-19)29-27(30)24-21-17-11-12-18-23(21)28-25(26(24)32(31)4-2)20-15-9-6-10-16-20/h5-18,22H,3-4H2,1-2H3,(H,29,30)/t22-,32?/m0/s1
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n/an/an/an/a 6.90n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338387
PNG
(3-(isopropylsulfinyl)-2-phenyl-N-((S)-1-phenylprop...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)S(=O)C(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C28H28N2O2S/c1-4-23(20-13-7-5-8-14-20)30-28(31)25-22-17-11-12-18-24(22)29-26(21-15-9-6-10-16-21)27(25)33(32)19(2)3/h5-19,23H,4H2,1-3H3,(H,30,31)/t23-,33?/m0/s1
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n/an/an/an/a 16n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338399
PNG
(3-(methylsulfinyl)-2-phenyl-N-(1-phenylcyclopropyl...)
Show SMILES CS(=O)c1c(nc2ccccc2c1C(=O)NC1(CC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H22N2O2S/c1-31(30)24-22(25(29)28-26(16-17-26)19-12-6-3-7-13-19)20-14-8-9-15-21(20)27-23(24)18-10-4-2-5-11-18/h2-15H,16-17H2,1H3,(H,28,29)
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n/an/an/an/a 16n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338382
PNG
(3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(pyrid...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1cccnc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2S/c1-3-20(17-10-5-4-6-11-17)28-25(29)22-19-13-7-8-14-21(19)27-23(24(22)31(2)30)18-12-9-15-26-16-18/h4-16,20H,3H2,1-2H3,(H,28,29)/t20-,31?/m0/s1
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n/an/an/an/a 690n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338403
PNG
(3-(methylsulfinyl)-2-phenyl-N-((S)-1-(pyridin-2-yl...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)S(C)=O)c1ccccn1 |r|
Show InChI InChI=1S/C25H23N3O2S/c1-3-19(21-15-9-10-16-26-21)28-25(29)22-18-13-7-8-14-20(18)27-23(24(22)31(2)30)17-11-5-4-6-12-17/h4-16,19H,3H2,1-2H3,(H,28,29)/t19-,31?/m0/s1
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n/an/an/an/a>5.20E+3n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338372
PNG
(3-((R)-methylsulfinylmethyl)-2-phenyl-N-((S)-1-phe...)
Show SMILES CC[C@H](NC(=O)c1c(C[S@@](C)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H26N2O2S/c1-3-23(19-12-6-4-7-13-19)29-27(30)25-21-16-10-11-17-24(21)28-26(22(25)18-32(2)31)20-14-8-5-9-15-20/h4-17,23H,3,18H2,1-2H3,(H,29,30)/t23-,32+/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338378
PNG
(2-(4-fluorophenyl)-3-(methylsulfinyl)-N-((S)-1-phe...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccc(F)cc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H23FN2O2S/c1-3-21(17-9-5-4-6-10-17)29-26(30)23-20-11-7-8-12-22(20)28-24(25(23)32(2)31)18-13-15-19(27)16-14-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
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n/an/an/an/a 48n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338381
PNG
(3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(pyrid...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccn1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O2S/c1-3-19(17-11-5-4-6-12-17)28-25(29)22-18-13-7-8-14-20(18)27-23(24(22)31(2)30)21-15-9-10-16-26-21/h4-16,19H,3H2,1-2H3,(H,28,29)/t19-,31?/m0/s1
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n/an/an/an/a 1.12E+3n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338384
PNG
(3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiaz...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1cncs1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H21N3O2S2/c1-3-17(15-9-5-4-6-10-15)26-23(27)20-16-11-7-8-12-18(16)25-21(22(20)30(2)28)19-13-24-14-29-19/h4-14,17H,3H2,1-2H3,(H,26,27)/t17-,30?/m0/s1
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n/an/an/an/a 220n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338391
PNG
(7-fluoro-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phen...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2cc(F)ccc12)-c1ccccc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H23FN2O2S/c1-3-21(17-10-6-4-7-11-17)29-26(30)23-20-15-14-19(27)16-22(20)28-24(25(23)32(2)31)18-12-8-5-9-13-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
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n/an/an/an/a 13n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338396
PNG
(7-methyl-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phen...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2cc(C)ccc12)-c1ccccc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H26N2O2S/c1-4-22(19-11-7-5-8-12-19)29-27(30)24-21-16-15-18(2)17-23(21)28-25(26(24)32(3)31)20-13-9-6-10-14-20/h5-17,22H,4H2,1-3H3,(H,29,30)/t22-,32?/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338377
PNG
(2-(3-fluorophenyl)-3-(methylsulfinyl)-N-((S)-1-phe...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1cccc(F)c1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H23FN2O2S/c1-3-21(17-10-5-4-6-11-17)29-26(30)23-20-14-7-8-15-22(20)28-24(25(23)32(2)31)18-12-9-13-19(27)16-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
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n/an/an/an/a 18n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338388
PNG
(3-(2-(dimethylamino)-2-oxoethylsulfinyl)-2-phenyl-...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)S(=O)CC(=O)N(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C29H29N3O3S/c1-4-23(20-13-7-5-8-14-20)31-29(34)26-22-17-11-12-18-24(22)30-27(21-15-9-6-10-16-21)28(26)36(35)19-25(33)32(2)3/h5-18,23H,4,19H2,1-3H3,(H,31,34)/t23-,36?/m0/s1
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n/an/an/an/a 12n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338395
PNG
(7-bromo-3-(methylsulfinyl)-2-phenyl-N-((S)-1-pheny...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2cc(Br)ccc12)-c1ccccc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H23BrN2O2S/c1-3-21(17-10-6-4-7-11-17)29-26(30)23-20-15-14-19(27)16-22(20)28-24(25(23)32(2)31)18-12-8-5-9-13-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
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n/an/an/an/a 5.10n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338367
PNG
((S)-3-(methylthio)-2-phenyl-N-(1-phenylpropyl)quin...)
Show SMILES CC[C@H](NC(=O)c1c(SC)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N2OS/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(25(23)30-2)19-14-8-5-9-15-19/h4-17,21H,3H2,1-2H3,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 36n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338368
PNG
(3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N2O2S/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(25(23)31(2)30)19-14-8-5-9-15-19/h4-17,21H,3H2,1-2H3,(H,28,29)/t21-,31?/m0/s1
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n/an/an/an/a 4.90n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338383
PNG
(3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiaz...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1cscn1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H21N3O2S2/c1-3-17(15-9-5-4-6-10-15)26-23(27)20-16-11-7-8-12-18(16)25-21(22(20)30(2)28)19-13-29-14-24-19/h4-14,17H,3H2,1-2H3,(H,26,27)/t17-,30?/m0/s1
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n/an/an/an/a 110n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338385
PNG
(3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(1H-py...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1cc[nH]n1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H22N4O2S/c1-3-17(15-9-5-4-6-10-15)26-23(28)20-16-11-7-8-12-18(16)25-21(22(20)30(2)29)19-13-14-24-27-19/h4-14,17H,3H2,1-2H3,(H,24,27)(H,26,28)/t17-,30?/m0/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338394
PNG
(7-(dimethylamino)-3-(methylsulfinyl)-2-phenyl-N-((...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2cc(ccc12)N(C)C)-c1ccccc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H29N3O2S/c1-5-23(19-12-8-6-9-13-19)30-28(32)25-22-17-16-21(31(2)3)18-24(22)29-26(27(25)34(4)33)20-14-10-7-11-15-20/h6-18,23H,5H2,1-4H3,(H,30,32)/t23-,34?/m0/s1
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n/an/an/an/a 212n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338397
PNG
(7-((dimethylamino)methyl)-3-(methylsulfinyl)-2-phe...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2cc(CN(C)C)ccc12)-c1ccccc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H31N3O2S/c1-5-24(21-12-8-6-9-13-21)31-29(33)26-23-17-16-20(19-32(2)3)18-25(23)30-27(28(26)35(4)34)22-14-10-7-11-15-22/h6-18,24H,5,19H2,1-4H3,(H,31,33)/t24-,35?/m0/s1
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n/an/an/an/a 88n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338401
PNG
(CHEMBL1682971 | N-((S)-cyclopropyl(pyridin-4-yl)me...)
Show SMILES CS(=O)c1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccncc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H23N3O2S/c1-32(31)25-22(26(30)29-23(18-11-12-18)19-13-15-27-16-14-19)20-9-5-6-10-21(20)28-24(25)17-7-3-2-4-8-17/h2-10,13-16,18,23H,11-12H2,1H3,(H,29,30)/t23-,32?/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338368
PNG
(3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N2O2S/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(25(23)31(2)30)19-14-8-5-9-15-19/h4-17,21H,3H2,1-2H3,(H,28,29)/t21-,31?/m0/s1
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n/an/an/an/a 4.90n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338373
PNG
(3-((S)-methylsulfinylmethyl)-2-phenyl-N-((S)-1-phe...)
Show SMILES CC[C@H](NC(=O)c1c(C[S@](C)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H26N2O2S/c1-3-23(19-12-6-4-7-13-19)29-27(30)25-21-16-10-11-17-24(21)28-26(22(25)18-32(2)31)20-14-8-5-9-15-20/h4-17,23H,3,18H2,1-2H3,(H,29,30)/t23-,32-/m0/s1
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n/an/an/an/a 5.30n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338379
PNG
(3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiop...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1cccs1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H22N2O2S2/c1-3-18(16-10-5-4-6-11-16)26-24(27)21-17-12-7-8-13-19(17)25-22(23(21)30(2)28)20-14-9-15-29-20/h4-15,18H,3H2,1-2H3,(H,26,27)/t18-,30?/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338393
PNG
(7-ethoxy-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phen...)
Show SMILES CCOc1ccc2c(C(=O)N[C@@H](CC)c3ccccc3)c(c(nc2c1)-c1ccccc1)S(C)=O |r|
Show InChI InChI=1S/C28H28N2O3S/c1-4-23(19-12-8-6-9-13-19)30-28(31)25-22-17-16-21(33-5-2)18-24(22)29-26(27(25)34(3)32)20-14-10-7-11-15-20/h6-18,23H,4-5H2,1-3H3,(H,30,31)/t23-,34?/m0/s1
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n/an/an/an/a 38n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338398
PNG
(CHEMBL1682968 | N-((S)-cyclopropyl(phenyl)methyl)-...)
Show SMILES CS(=O)c1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H24N2O2S/c1-32(31)26-23(27(30)29-24(20-16-17-20)18-10-4-2-5-11-18)21-14-8-9-15-22(21)28-25(26)19-12-6-3-7-13-19/h2-15,20,24H,16-17H2,1H3,(H,29,30)/t24-,32?/m1/s1
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n/an/an/an/a 15n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338400
PNG
(3-(methylsulfinyl)-2-phenyl-N-(1-phenylcyclobutyl)...)
Show SMILES CS(=O)c1c(nc2ccccc2c1C(=O)NC1(CCC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H24N2O2S/c1-32(31)25-23(26(30)29-27(17-10-18-27)20-13-6-3-7-14-20)21-15-8-9-16-22(21)28-24(25)19-11-4-2-5-12-19/h2-9,11-16H,10,17-18H2,1H3,(H,29,30)
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n/an/an/an/a 38n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338402
PNG
(3-(methylsulfinyl)-2-phenyl-N-((S)-1-(pyridin-3-yl...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)S(C)=O)c1cccnc1 |r|
Show InChI InChI=1S/C25H23N3O2S/c1-3-20(18-12-9-15-26-16-18)28-25(29)22-19-13-7-8-14-21(19)27-23(24(22)31(2)30)17-10-5-4-6-11-17/h4-16,20H,3H2,1-2H3,(H,28,29)/t20-,31?/m0/s1
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n/an/an/an/a 74n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338369
PNG
(3-((S)-methylsulfinyl)-2-phenyl-N-((S)-1-phenylpro...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)[S@](C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N2O2S/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(25(23)31(2)30)19-14-8-5-9-15-19/h4-17,21H,3H2,1-2H3,(H,28,29)/t21-,31-/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338380
PNG
(3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiop...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccsc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H22N2O2S2/c1-3-19(16-9-5-4-6-10-16)26-24(27)21-18-11-7-8-12-20(18)25-22(23(21)30(2)28)17-13-14-29-15-17/h4-15,19H,3H2,1-2H3,(H,26,27)/t19-,30?/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338389
PNG
(8-fluoro-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phen...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2c(F)cccc12)-c1ccccc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H23FN2O2S/c1-3-21(17-11-6-4-7-12-17)28-26(30)22-19-15-10-16-20(27)24(19)29-23(25(22)32(2)31)18-13-8-5-9-14-18/h4-16,21H,3H2,1-2H3,(H,28,30)/t21-,32?/m0/s1
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n/an/an/an/a 8.20n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338392
PNG
(7-chloro-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phen...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2cc(Cl)ccc12)-c1ccccc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H23ClN2O2S/c1-3-21(17-10-6-4-7-11-17)29-26(30)23-20-15-14-19(27)16-22(20)28-24(25(23)32(2)31)18-12-8-5-9-13-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
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n/an/an/an/a 7.70n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338401
PNG
(CHEMBL1682971 | N-((S)-cyclopropyl(pyridin-4-yl)me...)
Show SMILES CS(=O)c1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccncc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H23N3O2S/c1-32(31)25-22(26(30)29-23(18-11-12-18)19-13-15-27-16-14-19)20-9-5-6-10-21(20)28-24(25)17-7-3-2-4-8-17/h2-10,13-16,18,23H,11-12H2,1H3,(H,29,30)/t23-,32?/m0/s1
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n/an/an/an/a>9.30E+3n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338374
PNG
((S)-3-(methylsulfonylmethyl)-2-phenyl-N-(1-phenylp...)
Show SMILES CC[C@H](NC(=O)c1c(CS(C)(=O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H26N2O3S/c1-3-23(19-12-6-4-7-13-19)29-27(30)25-21-16-10-11-17-24(21)28-26(20-14-8-5-9-15-20)22(25)18-33(2,31)32/h4-17,23H,3,18H2,1-2H3,(H,29,30)/t23-/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%