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Compile Data Set for Download or QSAR

Found 127 hits with Last Name = 'raphy' and Initial = 'j'   
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))
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 |r|
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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n/an/a 0.210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101417
PNG
(CHEMBL539928 | [1-Dimethylaminomethyl-2-(1H-indol-...)
Show SMILES C[C@H](NC(=O)[C@@](CN(C)C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C32H34N4O4/c1-22(23-11-5-4-6-12-23)34-30(37)32(21-36(2)3,18-25-19-33-28-15-9-8-14-27(25)28)35-31(38)39-20-26-17-24-13-7-10-16-29(24)40-26/h4-17,19,22,33H,18,20-21H2,1-3H3,(H,34,37)(H,35,38)/t22-,32-/m0/s1
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n/an/a 0.460n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101415
PNG
(CHEMBL306089 | [2-(1H-Indol-3-yl)-1-methoxymethyl-...)
Show SMILES COC[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C31H31N3O5/c1-21(22-10-4-3-5-11-22)33-29(35)31(20-37-2,17-24-18-32-27-14-8-7-13-26(24)27)34-30(36)38-19-25-16-23-12-6-9-15-28(23)39-25/h3-16,18,21,32H,17,19-20H2,1-2H3,(H,33,35)(H,34,36)/t21-,31-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101420
PNG
(CHEMBL76501 | [2-(1H-Indol-3-yl)-1-(1-phenyl-ethyl...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C29H27N3O4/c1-19(20-9-3-2-4-10-20)31-28(33)26(16-22-17-30-25-13-7-6-12-24(22)25)32-29(34)35-18-23-15-21-11-5-8-14-27(21)36-23/h2-15,17,19,26,30H,16,18H2,1H3,(H,31,33)(H,32,34)/t19-,26+/m0/s1
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n/an/a 0.730n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101414
PNG
(CHEMBL76455 | [1-(1H-Indol-3-ylmethyl)-1-(1-phenyl...)
Show SMILES CCC[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C32H33N3O4/c1-3-17-32(19-25-20-33-28-15-9-8-14-27(25)28,30(36)34-22(2)23-11-5-4-6-12-23)35-31(37)38-21-26-18-24-13-7-10-16-29(24)39-26/h4-16,18,20,22,33H,3,17,19,21H2,1-2H3,(H,34,36)(H,35,37)/t22-,32+/m0/s1
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n/an/a 0.850n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101419
PNG
(CHEMBL77684 | [1-(1H-Indol-3-ylmethyl)-1-(1-phenyl...)
Show SMILES CC[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C31H31N3O4/c1-3-31(18-24-19-32-27-15-9-8-14-26(24)27,29(35)33-21(2)22-11-5-4-6-12-22)34-30(36)37-20-25-17-23-13-7-10-16-28(23)38-25/h4-17,19,21,32H,3,18,20H2,1-2H3,(H,33,35)(H,34,36)/t21-,31+/m0/s1
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n/an/a 0.960n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101416
PNG
(CHEMBL307488 | [(R)-2-(3H-Indol-3-yl)-1-methyl-1-(...)
Show SMILES C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C30H29N3O4/c1-20(21-10-4-3-5-11-21)32-28(34)30(2,17-23-18-31-26-14-8-7-13-25(23)26)33-29(35)36-19-24-16-22-12-6-9-15-27(22)37-24/h3-16,18,20,31H,17,19H2,1-2H3,(H,32,34)(H,33,35)/t20-,30+/m0/s1
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n/an/a 1.05n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Substance-K receptor


(HAMSTER)
BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 2 in membranes prepared from hamster urinary bladder labeled with [125 I] NKA


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50050641
PNG
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as rad...


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050641
PNG
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as rad...


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101418
PNG
(CHEMBL72895 | [1-(1H-Indol-3-ylmethyl)-3-methyl-1-...)
Show SMILES CC(C)C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C33H35N3O4/c1-22(2)18-33(19-26-20-34-29-15-9-8-14-28(26)29,31(37)35-23(3)24-11-5-4-6-12-24)36-32(38)39-21-27-17-25-13-7-10-16-30(25)40-27/h4-17,20,22-23,34H,18-19,21H2,1-3H3,(H,35,37)(H,36,38)/t23-,33+/m0/s1
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n/an/a 3.79n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050641
PNG
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50050641
PNG
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
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Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101417
PNG
(CHEMBL539928 | [1-Dimethylaminomethyl-2-(1H-indol-...)
Show SMILES C[C@H](NC(=O)[C@@](CN(C)C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C32H34N4O4/c1-22(23-11-5-4-6-12-23)34-30(37)32(21-36(2)3,18-25-19-33-28-15-9-8-14-27(25)28)35-31(38)39-20-26-17-24-13-7-10-16-29(24)40-26/h4-17,19,22,33H,18,20-21H2,1-3H3,(H,34,37)(H,35,38)/t22-,32-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
In vitro affinity for specific binding at Gerbil tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101416
PNG
(CHEMBL307488 | [(R)-2-(3H-Indol-3-yl)-1-methyl-1-(...)
Show SMILES C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C30H29N3O4/c1-20(21-10-4-3-5-11-21)32-28(34)30(2,17-23-18-31-26-14-8-7-13-25(23)26)33-29(35)36-19-24-16-22-12-6-9-15-27(22)37-24/h3-16,18,20,31H,17,19H2,1-2H3,(H,32,34)(H,33,35)/t20-,30+/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
In vitro affinity for specific binding at Gerbil tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50050649
PNG
(CHEMBL444832 | {(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O
Show InChI InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50050649
PNG
(CHEMBL444832 | {(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O
Show InChI InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50050652
PNG
(CHEMBL47146 | PD-160946 | [(R)-2-(2-Fluoro-phenyl)...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50050652
PNG
(CHEMBL47146 | PD-160946 | [(R)-2-(2-Fluoro-phenyl)...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I]-[MePhe7]-Neurokini...


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50282774
PNG
(CHEMBL295301 | {(S)-1-[(R)-1-(8-Carbamoyl-octylcar...)
Show SMILES CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O
Show InChI InChI=1S/C33H48N4O5/c1-32(2,3)42-31(41)37-33(4,24-26-19-13-10-14-20-26)30(40)36-27(23-25-17-11-9-12-18-25)29(39)35-22-16-8-6-5-7-15-21-28(34)38/h9-14,17-20,27H,5-8,15-16,21-24H2,1-4H3,(H2,34,38)(H,35,39)(H,36,40)(H,37,41)/t27-,33+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050652
PNG
(CHEMBL47146 | PD-160946 | [(R)-2-(2-Fluoro-phenyl)...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050649
PNG
(CHEMBL444832 | {(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O
Show InChI InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050652
PNG
(CHEMBL47146 | PD-160946 | [(R)-2-(2-Fluoro-phenyl)...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050649
PNG
(CHEMBL444832 | {(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O
Show InChI InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050649
PNG
(CHEMBL444832 | {(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O
Show InChI InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050676
PNG
(CHEMBL47822 | {(S)-1-[(R)-1-Methyl-1-(8-methylcarb...)
Show SMILES CNC(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H50N4O5/c1-33(2,3)43-32(42)37-28(24-26-18-12-10-13-19-26)30(40)38-34(4,25-27-20-14-11-15-21-27)31(41)36-23-17-9-7-6-8-16-22-29(39)35-5/h10-15,18-21,28H,6-9,16-17,22-25H2,1-5H3,(H,35,39)(H,36,41)(H,37,42)(H,38,40)/t28-,34+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50282782
PNG
(CHEMBL297327 | {(S)-1-[(R)-1-(8-Hydroxy-octylcarba...)
Show SMILES CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO
Show InChI InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)35-32(4,24-26-19-13-10-14-20-26)29(38)34-27(23-25-17-11-9-12-18-25)28(37)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,37)(H,34,38)(H,35,39)/t27-,32+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50282782
PNG
(CHEMBL297327 | {(S)-1-[(R)-1-(8-Hydroxy-octylcarba...)
Show SMILES CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO
Show InChI InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)35-32(4,24-26-19-13-10-14-20-26)29(38)34-27(23-25-17-11-9-12-18-25)28(37)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,37)(H,34,38)(H,35,39)/t27-,32+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50050642
PNG
(CHEMBL296014 | {(S)-1-[(R)-1-(8-Hydroxy-octylcarba...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO
Show InChI InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)34-27(23-25-17-11-9-12-18-25)28(37)35-32(4,24-26-19-13-10-14-20-26)29(38)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t27-,32+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050651
PNG
(CHEMBL47586 | {(S)-1-[(R)-1-(8-Dimethylcarbamoyl-o...)
Show SMILES CN(C)C(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H52N4O5/c1-34(2,3)44-33(43)37-29(25-27-19-13-11-14-20-27)31(41)38-35(4,26-28-21-15-12-16-22-28)32(42)36-24-18-10-8-7-9-17-23-30(40)39(5)6/h11-16,19-22,29H,7-10,17-18,23-26H2,1-6H3,(H,36,42)(H,37,43)(H,38,41)/t29-,35+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50282775
PNG
((S)-2-[2-((S)-2-{(S)-2-[2-(4-Hydroxy-phenyl)-acety...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C39H50N6O7S/c1-25(2)20-31(38(51)44-30(36(40)49)18-19-53-3)43-35(48)24-41-37(50)32(21-26-10-6-4-7-11-26)45-39(52)33(22-27-12-8-5-9-13-27)42-34(47)23-28-14-16-29(46)17-15-28/h4-17,25,30-33,46H,18-24H2,1-3H3,(H2,40,49)(H,41,50)(H,42,47)(H,43,48)(H,44,51)(H,45,52)/t30-,31-,32-,33-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050662
PNG
(CHEMBL298104 | {(S)-1-[(R)-1-(8-Methanesulfonyl-oc...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCS(C)(=O)=O
Show InChI InChI=1S/C33H49N3O6S/c1-32(2,3)42-31(39)35-28(24-26-18-12-10-13-19-26)29(37)36-33(4,25-27-20-14-11-15-21-27)30(38)34-22-16-8-6-7-9-17-23-43(5,40)41/h10-15,18-21,28H,6-9,16-17,22-25H2,1-5H3,(H,34,38)(H,35,39)(H,36,37)/t28-,33+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50050641
PNG
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050679
PNG
(CHEMBL47035 | {(S)-1-[(R)-1-(7-Methanesulfonylamin...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNS(C)(=O)=O
Show InChI InChI=1S/C32H48N4O6S/c1-31(2,3)42-30(39)35-27(23-25-17-11-9-12-18-25)28(37)36-32(4,24-26-19-13-10-14-20-26)29(38)33-21-15-7-6-8-16-22-34-43(5,40)41/h9-14,17-20,27,34H,6-8,15-16,21-24H2,1-5H3,(H,33,38)(H,35,39)(H,36,37)/t27-,32+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50282774
PNG
(CHEMBL295301 | {(S)-1-[(R)-1-(8-Carbamoyl-octylcar...)
Show SMILES CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O
Show InChI InChI=1S/C33H48N4O5/c1-32(2,3)42-31(41)37-33(4,24-26-19-13-10-14-20-26)30(40)36-27(23-25-17-11-9-12-18-25)29(39)35-22-16-8-6-5-7-15-21-28(34)38/h9-14,17-20,27H,5-8,15-16,21-24H2,1-4H3,(H2,34,38)(H,35,39)(H,36,40)(H,37,41)/t27-,33+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050687
PNG
(CHEMBL296440 | {(S)-1-[(R)-1-(8-Carbamoyl-octylcar...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O
Show InChI InChI=1S/C33H48N4O5/c1-32(2,3)42-31(41)36-27(23-25-17-11-9-12-18-25)29(39)37-33(4,24-26-19-13-10-14-20-26)30(40)35-22-16-8-6-5-7-15-21-28(34)38/h9-14,17-20,27H,5-8,15-16,21-24H2,1-4H3,(H2,34,38)(H,35,40)(H,36,41)(H,37,39)/t27-,33+/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050664
PNG
(((R)-1-{(R)-1-[4-(4-Hydroxy-phenyl)-butylcarbamoyl...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCc1ccc(O)cc1
Show InChI InChI=1S/C34H43N3O5/c1-33(2,3)42-32(41)36-29(23-26-14-7-5-8-15-26)30(39)37-34(4,24-27-16-9-6-10-17-27)31(40)35-22-12-11-13-25-18-20-28(38)21-19-25/h5-10,14-21,29,38H,11-13,22-24H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)/t29-,34-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050649
PNG
(CHEMBL444832 | {(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O
Show InChI InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050642
PNG
(CHEMBL296014 | {(S)-1-[(R)-1-(8-Hydroxy-octylcarba...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO
Show InChI InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)34-27(23-25-17-11-9-12-18-25)28(37)35-32(4,24-26-19-13-10-14-20-26)29(38)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t27-,32+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050642
PNG
(CHEMBL296014 | {(S)-1-[(R)-1-(8-Hydroxy-octylcarba...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO
Show InChI InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)34-27(23-25-17-11-9-12-18-25)28(37)35-32(4,24-26-19-13-10-14-20-26)29(38)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t27-,32+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050674
PNG
(CHEMBL44965 | [(R)-1-Methyl-2-phenyl-1-(7-ureido-h...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H42N4O4/c1-22(2)25(24-17-11-8-12-18-24)37-28(36)33-29(3,21-23-15-9-7-10-16-23)26(34)31-19-13-5-4-6-14-20-32-27(30)35/h7-12,15-18,22,25H,4-6,13-14,19-21H2,1-3H3,(H,31,34)(H,33,36)(H3,30,32,35)/t25-,29+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
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