Found 38 hits of ki for UniProtKB: P30547 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Substance-P receptor
(GUINEA PIG) | BDBM50001450
((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 | PDB
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| Article
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| 0.0590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-Synthélabo Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 303: 1171-9 (2002)
Article DOI: 10.1124/jpet.102.040162
BindingDB Entry DOI: 10.7270/Q23J3BJH |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50000041
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1 | PDB
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| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pig |
J Med Chem 36: 3197-201 (1993)
BindingDB Entry DOI: 10.7270/Q29887NM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Substance-P receptor
(GUINEA PIG) | BDBM50000041
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1 | PDB
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| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pig |
J Med Chem 36: 3197-201 (1993)
BindingDB Entry DOI: 10.7270/Q29887NM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Substance-P receptor
(GUINEA PIG) | BDBM86055
(SSR240600)Show SMILES CC(C)(C1CCN(CCC2(CN(CCO2)C(=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(Cl)c(Cl)c2)CC1)C(N)=O Show InChI InChI=1S/C31H35Cl2F6N3O3/c1-28(2,27(40)44)20-5-8-41(9-6-20)10-7-29(21-3-4-24(32)25(33)17-21)18-42(11-12-45-29)26(43)15-19-13-22(30(34,35)36)16-23(14-19)31(37,38)39/h3-4,13-14,16-17,20H,5-12,15,18H2,1-2H3,(H2,40,44) | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-Synthélabo Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 303: 1171-9 (2002)
Article DOI: 10.1124/jpet.102.040162
BindingDB Entry DOI: 10.7270/Q23J3BJH |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50001450
((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 | PDB
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 840-51 (1996)
BindingDB Entry DOI: 10.7270/Q2KD1WF0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116074
(CHEMBL66635 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4']...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m0/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50000040
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1 | PDB
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| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 840-51 (1996)
BindingDB Entry DOI: 10.7270/Q2KD1WF0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116090
(1-(2-{1'-[5-[(3,5-Dichloro-benzoyl)-ethyl-amino]-3...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)C2CCN(C)CC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C38H49Cl4N5O4/c1-44-14-8-25(9-15-44)36(48)22-27-5-4-13-47(38(27)50)31-10-16-46(17-11-31)18-12-32(26-6-7-33(41)34(42)21-26)35(43-51-3)24-45(2)37(49)28-19-29(39)23-30(40)20-28/h6-7,19-21,23,25,27,31-32H,4-5,8-18,22,24H2,1-3H3/b43-35+ | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116082
(3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m1/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116080
(3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m1/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116091
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m0/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116087
(3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m0/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116076
(CHEMBL441252 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4'...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m1/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116083
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m1/s1 | PDB
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PC sid
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116089
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+ | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50366786
(CHEMBL540651)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)[S+]2CCNCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H46Cl4N5O4S/c1-43(35(47)26-18-27(37)22-28(38)19-26)23-33(42-49-2)30(24-5-6-31(39)32(40)20-24)9-15-44-13-7-29(8-14-44)45-12-3-4-25(36(45)48)21-34(46)50-16-10-41-11-17-50/h5-6,18-20,22,25,29-30,41H,3-4,7-17,21,23H2,1-2H3/q+1/b42-33+ | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116077
(3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+ | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116088
(3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m0/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116075
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+/t25-/m1/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116075
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+/t25-/m1/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116078
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116085
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m0/s1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116084
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CNC(=O)CC1CCCN(C2CCN(CCC(\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+ | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116074
(CHEMBL66635 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4']...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m0/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50175522
(1-{2-[3-((S)-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-/m1/s1 | PDB
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| 2.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 840-51 (1996)
BindingDB Entry DOI: 10.7270/Q2KD1WF0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM84953
(MDL 105,212A (R)-enantiomer)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 |r| 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-/m1/s1 | PDB
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| 2.99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 840-51 (1996)
BindingDB Entry DOI: 10.7270/Q2KD1WF0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50116086
(3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+ | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50030178
((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...)Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C36H36N4O4/c1-38-23-30(29-14-8-9-15-32(29)38)35(43)40-22-28(41)20-33(40)34(42)37-31(36(44)39(2)21-24-10-4-3-5-11-24)19-25-16-17-26-12-6-7-13-27(26)18-25/h3-18,23,28,31,33,41H,19-22H2,1-2H3,(H,37,42)/t28-,31-,33?/m1/s1 | PDB
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| 3.13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 840-51 (1996)
BindingDB Entry DOI: 10.7270/Q2KD1WF0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50110663
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-[(Z)-met...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+ | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290297
(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 |r| 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 | PDB
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| 5.88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 840-51 (1996)
BindingDB Entry DOI: 10.7270/Q2KD1WF0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50033658
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Sarcosine-Leu-Met(...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6]S([#6])(=O)=O)-[#6](-[#7])=O Show InChI InChI=1S/C64H100N18O15S/c1-37(2)34-46(58(90)74-42(53(69)85)28-33-98(4,96)97)78-54(86)38(3)73-57(89)47(35-39-16-7-5-8-17-39)80-59(91)48(36-40-18-9-6-10-19-40)79-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-60(92)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-61(93)49-22-14-31-81(49)62(94)41(66)20-13-30-72-64(70)71/h5-10,16-19,37-38,41-50H,11-15,20-36,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,85)(H,73,89)(H,74,90)(H,75,87)(H,76,92)(H,77,93)(H,78,86)(H,79,88)(H,80,91)(H4,70,71,72)/t38-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Evaluated for the binding affinity against NK1 receptor |
J Med Chem 36: 3197-201 (1993)
BindingDB Entry DOI: 10.7270/Q29887NM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50029885
((3aR,7aR)-2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7...)Show SMILES COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1 | PDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 840-51 (1996)
BindingDB Entry DOI: 10.7270/Q2KD1WF0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50001450
((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 | PDB
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Evaluated for the binding affinity against NK1 receptor |
J Med Chem 36: 3197-201 (1993)
BindingDB Entry DOI: 10.7270/Q29887NM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM84954
(CAS_6437864 | FK 224 | NSC_6437864)Show SMILES CCCCCc1ccccc1CCC(=O)NC1C(C)OC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(=Cc2ccc(O)cc2)N(C)C1=O)C(C)O |w:60.62| Show InChI InChI=1S/C54H72N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9,11-16,18-21,23-24,28,31-33,39-42,46-47,63-65H,7-8,10,17,22,25-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70) | PDB
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| PC cid
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| 98.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 840-51 (1996)
BindingDB Entry DOI: 10.7270/Q2KD1WF0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50175494
(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 | PDB
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Hoechst Marion Roussel
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 840-51 (1996)
BindingDB Entry DOI: 10.7270/Q2KD1WF0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50071112
(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
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Hoechst Marion Roussel
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 840-51 (1996)
BindingDB Entry DOI: 10.7270/Q2KD1WF0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM82262
(ZM253,270)Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)C(C)N=O)C1=O Show InChI InChI=1S/C22H26ClN7O3/c1-13(2)30-12-17-18(21(30)32)25-22(26-19(17)24-16-6-4-15(23)5-7-16)29-10-8-28(9-11-29)20(31)14(3)27-33/h4-7,13-14H,8-12H2,1-3H3,(H,24,25,26) | PDB
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| 9.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 274: 1216-21 (1995)
BindingDB Entry DOI: 10.7270/Q2VQ316V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50470591
(CHEMBL124208)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2 | PDB
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| Article
PubMed
| <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
The compound was tested for binding affinity against Tachykinin receptor 1 from guinea pig trachea |
J Med Chem 38: 3772-9 (1995)
Article DOI: 10.1021/jm00019a006
BindingDB Entry DOI: 10.7270/Q2JM2DCF |
More data for this
Ligand-Target Pair | |
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