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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'potts' and Initial = 'w'   
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))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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0.120n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50118098
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50118100
PNG
(3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...)
Show SMILES COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)34-30-10-5-4-8-26(30)20-28(22-39)35(34)44-2)23-27(25-12-13-31(37)32(38)21-25)16-19-41-17-14-24(15-18-41)29-9-6-7-11-33(29)45(3)43/h4-13,20-21,24,27H,14-19,23H2,1-3H3/t27-,45+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071112
PNG
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)
Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)
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0.230n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50118099
PNG
(1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...)
Show SMILES CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O
Show InChI InChI=1S/C36H41Cl2N5O4/c1-40-35(46)36(43-16-7-6-10-31(43)44)14-18-42(19-15-36)17-13-26(24-11-12-29(37)30(38)21-24)23-41(2)34(45)32-28-9-5-4-8-25(28)20-27(22-39)33(32)47-3/h4-5,8-9,11-12,20-21,26H,6-7,10,13-19,23H2,1-3H3,(H,40,46)/t26-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50175494
PNG
(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM85083
PNG
(NKB [MePhe7])
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)N(C)C(=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/C56H81N13O14S2/c1-31(2)22-39(51(78)63-37(48(58)75)18-20-84-6)62-44(70)29-60-55(82)47(32(3)4)68-53(80)40(23-33-14-10-8-11-15-33)66-54(81)43(24-34-16-12-9-13-17-34)69(5)56(83)42(27-46(73)74)67-52(79)41(25-35-28-59-30-61-35)65-50(77)38(19-21-85-7)64-49(76)36(57)26-45(71)72/h8-17,28,30-32,36-43,47H,18-27,29,57H2,1-7H3,(H2,58,75)(H,59,61)(H,60,82)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,81)(H,67,79)(H,68,80)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50118098
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1
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0.340n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 2 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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0.640n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM81942
PNG
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)
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0.740n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM81944
PNG
(CAS_86933-75-7 | NKB | NSC_5311312 | neuromedin K)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(O)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCSC)NC(=O)C(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)
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0.810n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50409575
PNG
(CHEMBL339767 | ZD-7944)
Show SMILES CCN1[C@H]([C@@H](CCN2CCC(CC2)c2ccccc2[S@](C)=O)c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O
Show InChI InChI=1S/C31H34Cl2N2O2S/c1-3-35-30(25-9-4-5-10-26(25)31(35)36)24(22-12-13-27(32)28(33)20-22)16-19-34-17-14-21(15-18-34)23-8-6-7-11-29(23)38(2)37/h4-13,20-21,24,30H,3,14-19H2,1-2H3/t24-,30+,38-/m0/s1
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0.920n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50175494
PNG
(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1
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1n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 2 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1M4W
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 |r|
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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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051290
PNG
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)
Show SMILES CN(C(C)=O)C1(CCN(CCCC2(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
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1.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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1.24n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM85845
PNG
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)
Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 314-23 (2002)


Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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1.71n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM85845
PNG
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)
Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 314-23 (2002)


Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050650
PNG
((S)-N-{(S)-1-[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-me...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1ccccc1)NC(=O)C(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)
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2.85n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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2.94n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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6.94n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50118099
PNG
(1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...)
Show SMILES CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O
Show InChI InChI=1S/C36H41Cl2N5O4/c1-40-35(46)36(43-16-7-6-10-31(43)44)14-18-42(19-15-36)17-13-26(24-11-12-29(37)30(38)21-24)23-41(2)34(45)32-28-9-5-4-8-25(28)20-27(22-39)33(32)47-3/h4-5,8-9,11-12,20-21,26H,6-7,10,13-19,23H2,1-3H3,(H,40,46)/t26-/m1/s1
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9.40n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM81944
PNG
(CAS_86933-75-7 | NKB | NSC_5311312 | neuromedin K)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(O)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCSC)NC(=O)C(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)
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16.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(mouse)
BDBM85845
PNG
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)
Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1
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17.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 314-23 (2002)


Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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22n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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23n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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33n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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35n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50118099
PNG
(1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...)
Show SMILES CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O
Show InChI InChI=1S/C36H41Cl2N5O4/c1-40-35(46)36(43-16-7-6-10-31(43)44)14-18-42(19-15-36)17-13-26(24-11-12-29(37)30(38)21-24)23-41(2)34(45)32-28-9-5-4-8-25(28)20-27(22-39)33(32)47-3/h4-5,8-9,11-12,20-21,26H,6-7,10,13-19,23H2,1-3H3,(H,40,46)/t26-/m1/s1
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35n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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37n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50118098
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1
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39n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50051290
PNG
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)
Show SMILES CN(C(C)=O)C1(CCN(CCCC2(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
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40n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50118100
PNG
(3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...)
Show SMILES COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)34-30-10-5-4-8-26(30)20-28(22-39)35(34)44-2)23-27(25-12-13-31(37)32(38)21-25)16-19-41-17-14-24(15-18-41)29-9-6-7-11-33(29)45(3)43/h4-13,20-21,24,27H,14-19,23H2,1-3H3/t27-,45+/m1/s1
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67n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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74n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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74n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(mouse)
BDBM85845
PNG
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)
Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1
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82.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 314-23 (2002)


Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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97n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]-MePhe-NKB as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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129n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Substance-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 |r|
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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144n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50175494
PNG
(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1
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200n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50118100
PNG
(3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...)
Show SMILES COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)34-30-10-5-4-8-26(30)20-28(22-39)35(34)44-2)23-27(25-12-13-31(37)32(38)21-25)16-19-41-17-14-24(15-18-41)29-9-6-7-11-33(29)45(3)43/h4-13,20-21,24,27H,14-19,23H2,1-3H3/t27-,45+/m1/s1
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220n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50071112
PNG
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)
Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)
PDB
MMDB

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454n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM81942
PNG
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)
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539n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM81944
PNG
(CAS_86933-75-7 | NKB | NSC_5311312 | neuromedin K)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(O)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCSC)NC(=O)C(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)
PDB
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554n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM81942
PNG
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)
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647n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
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