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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50043757   
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
Substance-P receptor


(Homo sapiens (human))
BDBM50220136
PNG
(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)
Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
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0.0794n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to NK1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to NK3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051293
PNG
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)
Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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2n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cells


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445808
PNG
(CHEMBL3104784)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC(F)(F)C[C@H]1CO
Show InChI InChI=1S/C30H28F9N3O2/c1-16-7-20(31)5-6-22(16)23-11-25(42-15-28(32,33)12-21(42)14-43)40-13-24(23)41(4)26(44)27(2,3)17-8-18(29(34,35)36)10-19(9-17)30(37,38)39/h5-11,13,21,43H,12,14-15H2,1-4H3/t21-/m0/s1
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13n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445808
PNG
(CHEMBL3104784)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC(F)(F)C[C@H]1CO
Show InChI InChI=1S/C30H28F9N3O2/c1-16-7-20(31)5-6-22(16)23-11-25(42-15-28(32,33)12-21(42)14-43)40-13-24(23)41(4)26(44)27(2,3)17-8-18(29(34,35)36)10-19(9-17)30(37,38)39/h5-11,13,21,43H,12,14-15H2,1-4H3/t21-/m0/s1
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13n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to NK1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445809
PNG
(CHEMBL3104786)
Show SMILES CN([C@H](C(=O)NCCN1CCOCC1)c1ccccc1)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H31F6N3O3/c1-25(2,19-15-20(26(28,29)30)17-21(16-19)27(31,32)33)24(38)35(3)22(18-7-5-4-6-8-18)23(37)34-9-10-36-11-13-39-14-12-36/h4-8,15-17,22H,9-14H2,1-3H3,(H,34,37)/t22-/m0/s1
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16n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445808
PNG
(CHEMBL3104784)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC(F)(F)C[C@H]1CO
Show InChI InChI=1S/C30H28F9N3O2/c1-16-7-20(31)5-6-22(16)23-11-25(42-15-28(32,33)12-21(42)14-43)40-13-24(23)41(4)26(44)27(2,3)17-8-18(29(34,35)36)10-19(9-17)30(37,38)39/h5-11,13,21,43H,12,14-15H2,1-4H3/t21-/m0/s1
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72n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to NK3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445808
PNG
(CHEMBL3104784)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC(F)(F)C[C@H]1CO
Show InChI InChI=1S/C30H28F9N3O2/c1-16-7-20(31)5-6-22(16)23-11-25(42-15-28(32,33)12-21(42)14-43)40-13-24(23)41(4)26(44)27(2,3)17-8-18(29(34,35)36)10-19(9-17)30(37,38)39/h5-11,13,21,43H,12,14-15H2,1-4H3/t21-/m0/s1
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79n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445807
PNG
(CHEMBL3104778)
Show SMILES CN(CCN1CCOCC1)C(=O)[C@@H](NC(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C27H31F6N3O3/c1-25(2,19-15-20(26(28,29)30)17-21(16-19)27(31,32)33)24(38)34-22(18-7-5-4-6-8-18)23(37)35(3)9-10-36-11-13-39-14-12-36/h4-8,15-17,22H,9-14H2,1-3H3,(H,34,38)/t22-/m0/s1
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79n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445806
PNG
(CHEMBL3104782)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H29F6N3O3/c1-24(2,18-14-19(25(27,28)29)16-20(15-18)26(30,31)32)23(37)34-21(17-6-4-3-5-7-17)22(36)33-8-9-35-10-12-38-13-11-35/h3-7,14-16,21H,8-13H2,1-2H3,(H,33,36)(H,34,37)/t21-/m0/s1
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100n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445804
PNG
(CHEMBL3104780)
Show SMILES CN1CCN(CCNC(=O)[C@@H](NC(=O)C(C)(C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2)CC1
Show InChI InChI=1S/C27H32F6N4O2/c1-25(2,19-15-20(26(28,29)30)17-21(16-19)27(31,32)33)24(39)35-22(18-7-5-4-6-8-18)23(38)34-9-10-37-13-11-36(3)12-14-37/h4-8,15-17,22H,9-14H2,1-3H3,(H,34,38)(H,35,39)/t22-/m0/s1
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251n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445805
PNG
(CHEMBL3104774)
Show SMILES CNCCNC(=O)[C@@H](NC(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H25F6N3O2/c1-21(2,15-11-16(22(24,25)26)13-17(12-15)23(27,28)29)20(34)32-18(14-7-5-4-6-8-14)19(33)31-10-9-30-3/h4-8,11-13,18,30H,9-10H2,1-3H3,(H,31,33)(H,32,34)/t18-/m0/s1
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251n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445802
PNG
(CHEMBL3104777)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24F6N2O3/c1-22(2,16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)21(34)31-19(15-6-4-3-5-7-15)20(33)32-8-10-35-11-9-32/h3-7,12-14,19H,8-11H2,1-2H3,(H,31,34)/t19-/m0/s1
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316n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445803
PNG
(CHEMBL3104775)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCN)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H23F6N3O2/c1-20(2,14-10-15(21(23,24)25)12-16(11-14)22(26,27)28)19(33)31-17(18(32)30-9-8-29)13-6-4-3-5-7-13/h3-7,10-12,17H,8-9,29H2,1-2H3,(H,30,32)(H,31,33)/t17-/m0/s1
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316n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445818
PNG
(CHEMBL3104773)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H25F6N3O3/c25-23(26,27)18-12-16(13-19(15-18)24(28,29)30)14-20(34)32-21(17-4-2-1-3-5-17)22(35)31-6-7-33-8-10-36-11-9-33/h1-5,12-13,15,21H,6-11,14H2,(H,31,35)(H,32,34)/t21-/m0/s1
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794n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445806
PNG
(CHEMBL3104782)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H29F6N3O3/c1-24(2,18-14-19(25(27,28)29)16-20(15-18)26(30,31)32)23(37)34-21(17-6-4-3-5-7-17)22(36)33-8-9-35-10-12-38-13-11-35/h3-7,14-16,21H,8-13H2,1-2H3,(H,33,36)(H,34,37)/t21-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445816
PNG
(CHEMBL3104781)
Show SMILES CC(C)(C(=O)N[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H29F6N3O3/c1-24(2,18-14-19(25(27,28)29)16-20(15-18)26(30,31)32)23(37)34-21(17-6-4-3-5-7-17)22(36)33-8-9-35-10-12-38-13-11-35/h3-7,14-16,21H,8-13H2,1-2H3,(H,33,36)(H,34,37)/t21-/m1/s1
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2.51E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445817
PNG
(CHEMBL3104776)
Show SMILES CC(C)(C(=O)N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24F6N2O3/c1-22(2,16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)21(34)31-19(15-6-4-3-5-7-15)20(33)32-8-10-35-11-9-32/h3-7,12-14,19H,8-11H2,1-2H3,(H,31,34)/t19-/m1/s1
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2.51E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445820
PNG
(CHEMBL3104783)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H31Cl3FN3O3/c1-36(19-20-3-6-22(32)7-4-20)29(39)24(21-5-9-26(33)27(34)17-21)11-14-38-15-12-31(13-16-38)25-18-23(35)8-10-28(25)37(2)30(40)41-31/h3-10,17-18,24H,11-16,19H2,1-2H3/t24-/m0/s1
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3.98E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to NK3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445819
PNG
(CHEMBL3104785)
Show SMILES CCCN(C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1)C(C)=O
Show InChI InChI=1S/C29H38Cl2FN3O3/c1-4-14-35(20(2)37)24-11-15-34(16-12-24)17-13-29(3,22-7-10-25(30)26(31)18-22)28(38)33-27(19-36)21-5-8-23(32)9-6-21/h5-10,18,24,27,36H,4,11-17,19H2,1-3H3,(H,33,38)/t27-,29?/m0/s1
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5.01E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to NK3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445809
PNG
(CHEMBL3104786)
Show SMILES CN([C@H](C(=O)NCCN1CCOCC1)c1ccccc1)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H31F6N3O3/c1-25(2,19-15-20(26(28,29)30)17-21(16-19)27(31,32)33)24(38)35(3)22(18-7-5-4-6-8-18)23(37)34-9-10-36-11-13-39-14-12-36/h4-8,15-17,22H,9-14H2,1-3H3,(H,34,37)/t22-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445815
PNG
(CHEMBL3104769)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H31N3O3/c1-24(2,20-11-7-4-8-12-20)23(29)26-21(19-9-5-3-6-10-19)22(28)25-13-14-27-15-17-30-18-16-27/h3-12,21H,13-18H2,1-2H3,(H,25,28)(H,26,29)/t21-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445818
PNG
(CHEMBL3104773)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H25F6N3O3/c25-23(26,27)18-12-16(13-19(15-18)24(28,29)30)14-20(34)32-21(17-4-2-1-3-5-17)22(35)31-6-7-33-8-10-36-11-9-33/h1-5,12-13,15,21H,6-11,14H2,(H,31,35)(H,32,34)/t21-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445805
PNG
(CHEMBL3104774)
Show SMILES CNCCNC(=O)[C@@H](NC(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H25F6N3O2/c1-21(2,15-11-16(22(24,25)26)13-17(12-15)23(27,28)29)20(34)32-18(14-7-5-4-6-8-14)19(33)31-10-9-30-3/h4-8,11-13,18,30H,9-10H2,1-3H3,(H,31,33)(H,32,34)/t18-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445803
PNG
(CHEMBL3104775)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCN)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H23F6N3O2/c1-20(2,14-10-15(21(23,24)25)12-16(11-14)22(26,27)28)19(33)31-17(18(32)30-9-8-29)13-6-4-3-5-7-13/h3-7,10-12,17H,8-9,29H2,1-2H3,(H,30,32)(H,31,33)/t17-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445807
PNG
(CHEMBL3104778)
Show SMILES CN(CCN1CCOCC1)C(=O)[C@@H](NC(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C27H31F6N3O3/c1-25(2,19-15-20(26(28,29)30)17-21(16-19)27(31,32)33)24(38)34-22(18-7-5-4-6-8-18)23(37)35(3)9-10-36-11-13-39-14-12-36/h4-8,15-17,22H,9-14H2,1-3H3,(H,34,38)/t22-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445804
PNG
(CHEMBL3104780)
Show SMILES CN1CCN(CCNC(=O)[C@@H](NC(=O)C(C)(C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2)CC1
Show InChI InChI=1S/C27H32F6N4O2/c1-25(2,19-15-20(26(28,29)30)17-21(16-19)27(31,32)33)24(39)35-22(18-7-5-4-6-8-18)23(38)34-9-10-37-13-11-36(3)12-14-37/h4-8,15-17,22H,9-14H2,1-3H3,(H,34,38)(H,35,39)/t22-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445810
PNG
(CHEMBL3104768)
Show SMILES O=C(Cc1ccccc1)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O3/c26-20(17-18-7-3-1-4-8-18)24-21(19-9-5-2-6-10-19)22(27)23-11-12-25-13-15-28-16-14-25/h1-10,21H,11-17H2,(H,23,27)(H,24,26)/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445814
PNG
(CHEMBL3104770)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O3/c1-24(2,18-14-19(25)16-20(26)15-18)23(31)28-21(17-6-4-3-5-7-17)22(30)27-8-9-29-10-12-32-13-11-29/h3-7,14-16,21H,8-13H2,1-2H3,(H,27,30)(H,28,31)/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445813
PNG
(CHEMBL3104771)
Show SMILES Cc1cc(C)cc(c1)C(C)(C)C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C26H35N3O3/c1-19-16-20(2)18-22(17-19)26(3,4)25(31)28-23(21-8-6-5-7-9-21)24(30)27-10-11-29-12-14-32-15-13-29/h5-9,16-18,23H,10-15H2,1-4H3,(H,27,30)(H,28,31)/t23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445812
PNG
(CHEMBL3104772)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCNCCO)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H27F6N3O3/c1-22(2,16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)21(36)33-19(15-6-4-3-5-7-15)20(35)32-9-8-31-10-11-34/h3-7,12-14,19,31,34H,8-11H2,1-2H3,(H,32,35)(H,33,36)/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445817
PNG
(CHEMBL3104776)
Show SMILES CC(C)(C(=O)N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24F6N2O3/c1-22(2,16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)21(34)31-19(15-6-4-3-5-7-15)20(33)32-8-10-35-11-9-32/h3-7,12-14,19H,8-11H2,1-2H3,(H,31,34)/t19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445816
PNG
(CHEMBL3104781)
Show SMILES CC(C)(C(=O)N[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H29F6N3O3/c1-24(2,18-14-19(25(27,28)29)16-20(15-18)26(30,31)32)23(37)34-21(17-6-4-3-5-7-17)22(36)33-8-9-35-10-12-38-13-11-35/h3-7,14-16,21H,8-13H2,1-2H3,(H,33,36)(H,34,37)/t21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445811
PNG
(CHEMBL3104779)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCCN1CCOCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H31F6N3O3/c1-25(2,19-15-20(26(28,29)30)17-21(16-19)27(31,32)33)24(38)35-22(18-7-4-3-5-8-18)23(37)34-9-6-10-36-11-13-39-14-12-36/h3-5,7-8,15-17,22H,6,9-14H2,1-2H3,(H,34,37)(H,35,38)/t22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445814
PNG
(CHEMBL3104770)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O3/c1-24(2,18-14-19(25)16-20(26)15-18)23(31)28-21(17-6-4-3-5-7-17)22(30)27-8-9-29-10-12-32-13-11-29/h3-7,14-16,21H,8-13H2,1-2H3,(H,27,30)(H,28,31)/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445813
PNG
(CHEMBL3104771)
Show SMILES Cc1cc(C)cc(c1)C(C)(C)C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C26H35N3O3/c1-19-16-20(2)18-22(17-19)26(3,4)25(31)28-23(21-8-6-5-7-9-21)24(30)27-10-11-29-12-14-32-15-13-29/h5-9,16-18,23H,10-15H2,1-4H3,(H,27,30)(H,28,31)/t23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445812
PNG
(CHEMBL3104772)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCNCCO)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H27F6N3O3/c1-22(2,16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)21(36)33-19(15-6-4-3-5-7-15)20(35)32-9-8-31-10-11-34/h3-7,12-14,19,31,34H,8-11H2,1-2H3,(H,32,35)(H,33,36)/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445811
PNG
(CHEMBL3104779)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCCN1CCOCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H31F6N3O3/c1-25(2,19-15-20(26(28,29)30)17-21(16-19)27(31,32)33)24(38)35-22(18-7-4-3-5-8-18)23(37)34-9-6-10-36-11-13-39-14-12-36/h3-5,7-8,15-17,22H,6,9-14H2,1-2H3,(H,34,37)(H,35,38)/t22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445802
PNG
(CHEMBL3104777)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24F6N2O3/c1-22(2,16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)21(34)31-19(15-6-4-3-5-7-15)20(33)32-8-10-35-11-9-32/h3-7,12-14,19H,8-11H2,1-2H3,(H,31,34)/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445815
PNG
(CHEMBL3104769)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H31N3O3/c1-24(2,20-11-7-4-8-12-20)23(29)26-21(19-9-5-3-6-10-19)22(28)25-13-14-27-15-17-30-18-16-27/h3-12,21H,13-18H2,1-2H3,(H,25,28)(H,26,29)/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50445810
PNG
(CHEMBL3104768)
Show SMILES O=C(Cc1ccccc1)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O3/c26-20(17-18-7-3-1-4-8-18)24-21(19-9-5-2-6-10-19)22(27)23-11-12-25-13-15-28-16-14-25/h1-10,21H,11-17H2,(H,23,27)(H,24,26)/t21-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair