Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50029906 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Substance-P receptor
(Homo sapiens (Human)) | 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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| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50071484
(CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...)Show SMILES CN(C[C@@H](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)/t26-/m1/s1 | PDB
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| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | 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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| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289182
(1-{2-[1-(3,5-Dibromo-4-methoxy-benzoyl)-3-(3,4-dic...)Show SMILES COc1c(Br)cc(cc1Br)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H33Br2Cl2N3O3/c1-42-28-24(33)17-21(18-25(28)34)29(40)39-16-10-31(20-39,23-7-8-26(35)27(36)19-23)9-13-38-14-11-32(12-15-38,30(37)41)22-5-3-2-4-6-22/h2-8,17-19H,9-16,20H2,1H3,(H2,37,41) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | 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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| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289180
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-methoxy-3,5-dim...)Show SMILES COc1c(C)cc(cc1C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O3/c1-23-19-25(20-24(2)30(23)42-3)31(40)39-18-12-33(22-39,27-9-10-28(35)29(36)21-27)11-15-38-16-13-34(14-17-38,32(37)41)26-7-5-4-6-8-26/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41) | PDB
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| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50175505
(1-{2-[1-Benzoyl-3-((S)-3,4-dichloro-phenyl)-pyrrol...)Show SMILES NC(=O)C1(CCN(CC[C@]2(CCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C31H33Cl2N3O2/c32-26-12-11-25(21-27(26)33)30(14-20-36(22-30)28(37)23-7-3-1-4-8-23)13-17-35-18-15-31(16-19-35,29(34)38)24-9-5-2-6-10-24/h1-12,21H,13-20,22H2,(H2,34,38)/t30-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | 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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TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289181
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-methoxy-benzoyl...)Show SMILES COc1ccc(cc1)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H35Cl2N3O3/c1-40-26-10-7-23(8-11-26)29(38)37-20-14-31(22-37,25-9-12-27(33)28(34)21-25)13-17-36-18-15-32(16-19-36,30(35)39)24-5-3-2-4-6-24/h2-12,21H,13-20,22H2,1H3,(H2,35,39) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289184
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3-methoxy-benzoyl...)Show SMILES COc1cccc(c1)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H35Cl2N3O3/c1-40-26-9-5-6-23(20-26)29(38)37-19-13-31(22-37,25-10-11-27(33)28(34)21-25)12-16-36-17-14-32(15-18-36,30(35)39)24-7-3-2-4-8-24/h2-11,20-21H,12-19,22H2,1H3,(H2,35,39) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289191
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,5-dimethoxy-4-m...)Show SMILES COc1cc(cc(OC)c1C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O4/c1-23-29(42-2)19-24(20-30(23)43-3)31(40)39-18-12-33(22-39,26-9-10-27(35)28(36)21-26)11-15-38-16-13-34(14-17-38,32(37)41)25-7-5-4-6-8-25/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289186
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(2-methoxy-benzoyl...)Show SMILES COc1ccccc1C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H35Cl2N3O3/c1-40-28-10-6-5-9-25(28)29(38)37-20-14-31(22-37,24-11-12-26(33)27(34)21-24)13-17-36-18-15-32(16-19-36,30(35)39)23-7-3-2-4-8-23/h2-12,21H,13-20,22H2,1H3,(H2,35,39) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289192
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,5-dimethoxy-ben...)Show SMILES COc1cc(OC)cc(c1)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H37Cl2N3O4/c1-41-26-18-23(19-27(21-26)42-2)30(39)38-17-11-32(22-38,25-8-9-28(34)29(35)20-25)10-14-37-15-12-33(13-16-37,31(36)40)24-6-4-3-5-7-24/h3-9,18-21H,10-17,22H2,1-2H3,(H2,36,40) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | 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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TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Neuromedin-K 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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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
NK3 IC50 determined using [125I]-Bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289185
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(2,6-dimethoxy-ben...)Show SMILES COc1cccc(OC)c1C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H37Cl2N3O4/c1-41-27-9-6-10-28(42-2)29(27)30(39)38-20-14-32(22-38,24-11-12-25(34)26(35)21-24)13-17-37-18-15-33(16-19-37,31(36)40)23-7-4-3-5-8-23/h3-12,21H,13-20,22H2,1-2H3,(H2,36,40) | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289187
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(2,4-dimethoxy-ben...)Show SMILES COc1ccc(C(=O)N2CCC(CCN3CCC(CC3)(C(N)=O)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c(OC)c1 Show InChI InChI=1S/C33H37Cl2N3O4/c1-41-25-9-10-26(29(21-25)42-2)30(39)38-19-13-32(22-38,24-8-11-27(34)28(35)20-24)12-16-37-17-14-33(15-18-37,31(36)40)23-6-4-3-5-7-23/h3-11,20-21H,12-19,22H2,1-2H3,(H2,36,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289193
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-isopropoxy-3,5-...)Show SMILES COc1cc(cc(OC)c1OC(C)C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H43Cl2N3O5/c1-24(2)46-32-30(44-3)20-25(21-31(32)45-4)33(42)41-19-13-35(23-41,27-10-11-28(37)29(38)22-27)12-16-40-17-14-36(15-18-40,34(39)43)26-8-6-5-7-9-26/h5-11,20-22,24H,12-19,23H2,1-4H3,(H2,39,43) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289183
(1-(2-{3-(3,4-Dichloro-phenyl)-1-[2-(2-methoxy-phen...)Show SMILES COc1ccccc1CC(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H37Cl2N3O3/c1-41-29-10-6-5-7-24(29)21-30(39)38-20-14-32(23-38,26-11-12-27(34)28(35)22-26)13-17-37-18-15-33(16-19-37,31(36)40)25-8-3-2-4-9-25/h2-12,22H,13-21,23H2,1H3,(H2,36,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289185
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(2,6-dimethoxy-ben...)Show SMILES COc1cccc(OC)c1C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H37Cl2N3O4/c1-41-27-9-6-10-28(42-2)29(27)30(39)38-20-14-32(22-38,24-11-12-25(34)26(35)21-24)13-17-37-18-15-33(16-19-37,31(36)40)23-7-4-3-5-8-23/h3-12,21H,13-20,22H2,1-2H3,(H2,36,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289189
(1-(2-{3-(3,4-Dichloro-phenyl)-1-[2-(3,4,5-trimetho...)Show SMILES COc1cc(CC(=O)N2CCC(CCN3CCC(CC3)(C(N)=O)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC Show InChI InChI=1S/C35H41Cl2N3O5/c1-43-29-19-24(20-30(44-2)32(29)45-3)21-31(41)40-18-12-34(23-40,26-9-10-27(36)28(37)22-26)11-15-39-16-13-35(14-17-39,33(38)42)25-7-5-4-6-8-25/h4-10,19-20,22H,11-18,21,23H2,1-3H3,(H2,38,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289191
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,5-dimethoxy-4-m...)Show SMILES COc1cc(cc(OC)c1C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O4/c1-23-29(42-2)19-24(20-30(23)43-3)31(40)39-18-12-33(22-39,26-9-10-27(35)28(36)21-26)11-15-38-16-13-34(14-17-38,32(37)41)25-7-5-4-6-8-25/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289189
(1-(2-{3-(3,4-Dichloro-phenyl)-1-[2-(3,4,5-trimetho...)Show SMILES COc1cc(CC(=O)N2CCC(CCN3CCC(CC3)(C(N)=O)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC Show InChI InChI=1S/C35H41Cl2N3O5/c1-43-29-19-24(20-30(44-2)32(29)45-3)21-31(41)40-18-12-34(23-40,26-9-10-27(36)28(37)22-26)11-15-39-16-13-35(14-17-39,33(38)42)25-7-5-4-6-8-25/h4-10,19-20,22H,11-18,21,23H2,1-3H3,(H2,38,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289193
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-isopropoxy-3,5-...)Show SMILES COc1cc(cc(OC)c1OC(C)C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H43Cl2N3O5/c1-24(2)46-32-30(44-3)20-25(21-31(32)45-4)33(42)41-19-13-35(23-41,27-10-11-28(37)29(38)22-27)12-16-40-17-14-36(15-18-40,34(39)43)26-8-6-5-7-9-26/h5-11,20-22,24H,12-19,23H2,1-4H3,(H2,39,43) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289192
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,5-dimethoxy-ben...)Show SMILES COc1cc(OC)cc(c1)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H37Cl2N3O4/c1-41-26-18-23(19-27(21-26)42-2)30(39)38-17-11-32(22-38,25-8-9-28(34)29(35)20-25)10-14-37-15-12-33(13-16-37,31(36)40)24-6-4-3-5-7-24/h3-9,18-21H,10-17,22H2,1-2H3,(H2,36,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289183
(1-(2-{3-(3,4-Dichloro-phenyl)-1-[2-(2-methoxy-phen...)Show SMILES COc1ccccc1CC(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H37Cl2N3O3/c1-41-29-10-6-5-7-24(29)21-30(39)38-20-14-32(23-38,26-11-12-27(34)28(35)22-26)13-17-37-18-15-33(16-19-37,31(36)40)25-8-3-2-4-9-25/h2-12,22H,13-21,23H2,1H3,(H2,36,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289186
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(2-methoxy-benzoyl...)Show SMILES COc1ccccc1C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H35Cl2N3O3/c1-40-28-10-6-5-9-25(28)29(38)37-20-14-31(22-37,24-11-12-26(33)27(34)21-24)13-17-36-18-15-32(16-19-36,30(35)39)23-7-3-2-4-8-23/h2-12,21H,13-20,22H2,1H3,(H2,35,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289188
(CHEMBL176860 | Carbonic acid 4-[3-[2-(4-carbamoyl-...)Show SMILES CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H41Cl2N3O7/c1-4-47-34(44)48-31-29(45-2)20-24(21-30(31)46-3)32(42)41-19-13-35(23-41,26-10-11-27(37)28(38)22-26)12-16-40-17-14-36(15-18-40,33(39)43)25-8-6-5-7-9-25/h5-11,20-22H,4,12-19,23H2,1-3H3,(H2,39,43) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289184
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3-methoxy-benzoyl...)Show SMILES COc1cccc(c1)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H35Cl2N3O3/c1-40-26-9-5-6-23(20-26)29(38)37-19-13-31(22-37,25-10-11-27(33)28(34)21-25)12-16-36-17-14-32(15-18-36,30(35)39)24-7-3-2-4-8-24/h2-11,20-21H,12-19,22H2,1H3,(H2,35,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289187
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(2,4-dimethoxy-ben...)Show SMILES COc1ccc(C(=O)N2CCC(CCN3CCC(CC3)(C(N)=O)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c(OC)c1 Show InChI InChI=1S/C33H37Cl2N3O4/c1-41-25-9-10-26(29(21-25)42-2)30(39)38-19-13-32(22-38,24-8-11-27(34)28(35)20-24)12-16-37-17-14-33(15-18-37,31(36)40)23-6-4-3-5-7-23/h3-11,20-21H,12-19,22H2,1-2H3,(H2,36,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289190
(1-(2-{3-(3,4-Dichloro-phenyl)-1-[2-(3-isopropoxy-p...)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCC(CCN3CCC(CC3)(C(N)=O)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C35H41Cl2N3O3/c1-25(2)43-29-10-6-7-26(21-29)22-32(41)40-20-14-34(24-40,28-11-12-30(36)31(37)23-28)13-17-39-18-15-35(16-19-39,33(38)42)27-8-4-3-5-9-27/h3-12,21,23,25H,13-20,22,24H2,1-2H3,(H2,38,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289180
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-methoxy-3,5-dim...)Show SMILES COc1c(C)cc(cc1C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O3/c1-23-19-25(20-24(2)30(23)42-3)31(40)39-18-12-33(22-39,27-9-10-28(35)29(36)21-27)11-15-38-16-13-34(14-17-38,32(37)41)26-7-5-4-6-8-26/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(GUINEA PIG) | BDBM50071484
(CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...)Show SMILES CN(C[C@@H](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)/t26-/m1/s1 | PDB
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| n/a | n/a | 208 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
NK3 IC50 determined using [125I]-Bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289188
(CHEMBL176860 | Carbonic acid 4-[3-[2-(4-carbamoyl-...)Show SMILES CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H41Cl2N3O7/c1-4-47-34(44)48-31-29(45-2)20-24(21-30(31)46-3)32(42)41-19-13-35(23-41,26-10-11-27(37)28(38)22-26)12-16-40-17-14-36(15-18-40,33(39)43)25-8-6-5-7-9-25/h5-11,20-22H,4,12-19,23H2,1-3H3,(H2,39,43) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 252 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50175505
(1-{2-[1-Benzoyl-3-((S)-3,4-dichloro-phenyl)-pyrrol...)Show SMILES NC(=O)C1(CCN(CC[C@]2(CCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C31H33Cl2N3O2/c32-26-12-11-25(21-27(26)33)30(14-20-36(22-30)28(37)23-7-3-1-4-8-23)13-17-35-18-15-31(16-19-35,29(34)38)24-9-5-2-6-10-24/h1-12,21H,13-20,22H2,(H2,34,38)/t30-/m1/s1 | PDB
MMDB
Reactome pathway
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| CHEMBL
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| n/a | n/a | 271 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289182
(1-{2-[1-(3,5-Dibromo-4-methoxy-benzoyl)-3-(3,4-dic...)Show SMILES COc1c(Br)cc(cc1Br)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H33Br2Cl2N3O3/c1-42-28-24(33)17-21(18-25(28)34)29(40)39-16-10-31(20-39,23-7-8-26(35)27(36)19-23)9-13-38-14-11-32(12-15-38,30(37)41)22-5-3-2-4-6-22/h2-8,17-19H,9-16,20H2,1H3,(H2,37,41) | PDB
MMDB
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| CHEMBL
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| n/a | n/a | 313 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50289190
(1-(2-{3-(3,4-Dichloro-phenyl)-1-[2-(3-isopropoxy-p...)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCC(CCN3CCC(CC3)(C(N)=O)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C35H41Cl2N3O3/c1-25(2)43-29-10-6-7-26(21-29)22-32(41)40-20-14-34(24-40,28-11-12-30(36)31(37)23-28)13-17-39-18-15-35(16-19-39,33(38)42)27-8-4-3-5-9-27/h3-12,21,23,25H,13-20,22,24H2,1-2H3,(H2,38,42) | PDB
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| n/a | n/a | 548 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50071484
(CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...)Show SMILES CN(C[C@@H](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)/t26-/m1/s1 | PDB
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| n/a | n/a | 593 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289181
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-methoxy-benzoyl...)Show SMILES COc1ccc(cc1)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H35Cl2N3O3/c1-40-26-10-7-23(8-11-26)29(38)37-20-14-31(22-37,25-9-12-27(33)28(34)21-25)13-17-36-18-15-32(16-19-36,30(35)39)24-5-3-2-4-6-24/h2-12,21H,13-20,22H2,1H3,(H2,35,39) | PDB
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| CHEMBL
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| n/a | n/a | 634 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | 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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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
Neuromedin-K 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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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
NK3 IC50 determined using [125I]-Bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex |
Bioorg Med Chem Lett 6: 951-956 (1996)
Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794 |
More data for this
Ligand-Target Pair | |
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