Found 104 hits of ki data for polymerid = 49000786,49000788,50000863 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-K receptor
(Rattus norvegicus (Rat)) | BDBM50212987
(CHEMBL2110370 | GR-159897)Show SMILES COC1(C[S@@+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 |r| Show InChI InChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3/t29-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin receptor 2 from homogenized rat colon |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R78HDG |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50281769
(Acetic acid 1-[4-(benzoyl-methyl-amino)-3-(3,4-dic...)Show SMILES CN(CC(CCN1CCC(CC1)(OC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H34Cl2N2O3/c1-23(36)38-31(27-11-7-4-8-12-27)16-19-35(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-34(2)30(37)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3 | PDB
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PC sid
UniChem
Similars
| Article
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes |
Bioorg Med Chem Lett 3: 925-930 (1993)
Article DOI: 10.1016/S0960-894X(00)80694-0
BindingDB Entry DOI: 10.7270/Q2N29WW1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50281767
(Acetic acid 1-{3-(3,4-dichloro-phenyl)-4-[ethyl-(t...)Show SMILES CCN(CC(CCN1CCC(CC1)(OC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 Show InChI InChI=1S/C30H34Cl2N2O3S/c1-3-34(29(36)28-10-7-19-38-28)21-24(23-11-12-26(31)27(32)20-23)13-16-33-17-14-30(15-18-33,37-22(2)35)25-8-5-4-6-9-25/h4-12,19-20,24H,3,13-18,21H2,1-2H3 | PDB
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PC sid
UniChem
Similars
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes |
Bioorg Med Chem Lett 3: 925-930 (1993)
Article DOI: 10.1016/S0960-894X(00)80694-0
BindingDB Entry DOI: 10.7270/Q2N29WW1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | 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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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes |
Bioorg Med Chem Lett 3: 925-930 (1993)
Article DOI: 10.1016/S0960-894X(00)80694-0
BindingDB Entry DOI: 10.7270/Q2N29WW1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Bos taurus) | 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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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description
Binding affinity against bovine Tachykinin receptor 2 |
Bioorg Med Chem Lett 14: 4779-82 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.053
BindingDB Entry DOI: 10.7270/Q2VH5PKB |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50291261
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1 | PDB
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| Article
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| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham S.p.A.
Curated by ChEMBL
| Assay Description
Ability to displace [125I]NKA from Tachykinin receptor 2 in rat deodenum membrane |
J Med Chem 39: 2281-4 (1996)
Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Bos taurus) | 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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| 0.710 | 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-K receptor
(Rattus norvegicus (Rat)) | BDBM81942
(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) | PDB
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| 0.760 | 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-K receptor
(Rattus norvegicus (Rat)) | BDBM50281771
(CHEMBL173841 | N-[2-(3,4-Dichloro-phenyl)-4-(4-eth...)Show SMILES CCOC1(CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C31H36Cl2N2O2/c1-3-37-31(27-12-8-5-9-13-27)17-20-35(21-18-31)19-16-26(25-14-15-28(32)29(33)22-25)23-34(2)30(36)24-10-6-4-7-11-24/h4-15,22,26H,3,16-21,23H2,1-2H3 | PDB
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PC sid
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes |
Bioorg Med Chem Lett 3: 925-930 (1993)
Article DOI: 10.1016/S0960-894X(00)80694-0
BindingDB Entry DOI: 10.7270/Q2N29WW1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Bos taurus) | BDBM81942
(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) | PDB
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| 0.960 | 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-K receptor
(Rattus norvegicus (Rat)) | BDBM50470598
(CHEMBL126050)Show SMILES Cc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 Show InChI InChI=1S/C25H28FN3O2/c1-18-2-4-19(5-3-18)16-29-17-25(31-24(29)30)9-12-28(13-10-25)11-8-20-15-27-23-7-6-21(26)14-22(20)23/h2-7,14-15,27H,8-13,16-17H2,1H3 | PDB
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| 1 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Bos taurus) | BDBM50129513
(CHEMBL71397 | N-[2-(3,4-Dichloro-phenyl)-4-(4-hydr...)Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32Cl2N2O2/c1-32(28(34)22-8-4-2-5-9-22)21-24(23-12-13-26(30)27(31)20-23)14-17-33-18-15-29(35,16-19-33)25-10-6-3-7-11-25/h2-13,20,24,35H,14-19,21H2,1H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description
Binding affinity against bovine Tachykinin receptor 2 |
Bioorg Med Chem Lett 14: 4779-82 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.053
BindingDB Entry DOI: 10.7270/Q2VH5PKB |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50129513
(CHEMBL71397 | N-[2-(3,4-Dichloro-phenyl)-4-(4-hydr...)Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32Cl2N2O2/c1-32(28(34)22-8-4-2-5-9-22)21-24(23-12-13-26(30)27(31)20-23)14-17-33-18-15-29(35,16-19-33)25-10-6-3-7-11-25/h2-13,20,24,35H,14-19,21H2,1H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes |
Bioorg Med Chem Lett 3: 925-930 (1993)
Article DOI: 10.1016/S0960-894X(00)80694-0
BindingDB Entry DOI: 10.7270/Q2N29WW1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50281768
(CHEMBL176588 | Thiophene-3-carboxylic acid [2-(3,4...)Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccsc1 Show InChI InChI=1S/C27H30Cl2N2O2S/c1-30(26(32)22-10-16-34-19-22)18-21(20-7-8-24(28)25(29)17-20)9-13-31-14-11-27(33,12-15-31)23-5-3-2-4-6-23/h2-8,10,16-17,19,21,33H,9,11-15,18H2,1H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes |
Bioorg Med Chem Lett 3: 925-930 (1993)
Article DOI: 10.1016/S0960-894X(00)80694-0
BindingDB Entry DOI: 10.7270/Q2N29WW1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(HAMSTER) | 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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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of [125I]-NKA binding to neurokinin NK2 receptor from hamster urinary bladder membranes |
Bioorg Med Chem Lett 3: 925-930 (1993)
Article DOI: 10.1016/S0960-894X(00)80694-0
BindingDB Entry DOI: 10.7270/Q2N29WW1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470590
(CHEMBL341357)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)C4)CC3)c2c1 Show InChI InChI=1S/C25H28FN3O/c26-21-6-7-23-22(14-21)20(16-27-23)8-11-28-12-9-25(10-13-28)15-24(30)29(18-25)17-19-4-2-1-3-5-19/h1-7,14,16,27H,8-13,15,17-18H2 | PDB
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| 1.30 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470604
(CHEMBL338825)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)N4)CC3)c2c1 Show InChI InChI=1S/C24H27FN4O/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-28-12-9-24(10-13-28)17-29(23(30)27-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2,(H,27,30) | PDB
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| 1.30 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | 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
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50281766
(CHEMBL173008 | Thiophene-2-carboxylic acid [2-(3,4...)Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 Show InChI InChI=1S/C27H30Cl2N2O2S/c1-30(26(32)25-8-5-17-34-25)19-21(20-9-10-23(28)24(29)18-20)11-14-31-15-12-27(33,13-16-31)22-6-3-2-4-7-22/h2-10,17-18,21,33H,11-16,19H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes |
Bioorg Med Chem Lett 3: 925-930 (1993)
Article DOI: 10.1016/S0960-894X(00)80694-0
BindingDB Entry DOI: 10.7270/Q2N29WW1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50281773
(CHEMBL176853 | Naphthalene-1-carboxylic acid [2-(3...)Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C33H34Cl2N2O2/c1-36(32(38)29-13-7-9-24-8-5-6-12-28(24)29)23-26(25-14-15-30(34)31(35)22-25)16-19-37-20-17-33(39,18-21-37)27-10-3-2-4-11-27/h2-15,22,26,39H,16-21,23H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes |
Bioorg Med Chem Lett 3: 925-930 (1993)
Article DOI: 10.1016/S0960-894X(00)80694-0
BindingDB Entry DOI: 10.7270/Q2N29WW1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470596
(CHEMBL125310)Show SMILES CC(=O)N(Cc1ccccc1)CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C25H30FN3O2/c1-19(30)29(17-20-5-3-2-4-6-20)18-25(31)10-13-28(14-11-25)12-9-21-16-27-24-8-7-22(26)15-23(21)24/h2-8,15-16,27,31H,9-14,17-18H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470583
(CHEMBL125696)Show SMILES Fc1cccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)c1 Show InChI InChI=1S/C24H25F2N3O2/c25-19-3-1-2-17(12-19)15-29-16-24(31-23(29)30)7-10-28(11-8-24)9-6-18-14-27-22-5-4-20(26)13-21(18)22/h1-5,12-14,27H,6-11,15-16H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(HAMSTER) | BDBM81942
(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) | PDB
UniProtKB/SwissProt
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| Purchase
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80 | 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-K receptor
(HAMSTER) | 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
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | 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-K receptor
(HAMSTER) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 2.20 | 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-K receptor
(Rattus norvegicus (Rat)) | BDBM50470587
(CHEMBL124648)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(C(=O)c5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H24FN3O3/c25-19-6-7-21-20(14-19)18(15-26-21)8-11-27-12-9-24(10-13-27)16-28(23(30)31-24)22(29)17-4-2-1-3-5-17/h1-7,14-15,26H,8-13,16H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50097909
(1-[3-(5-Fluoro-1H-indol-3-yl)-ethyl]-4-(methylsulf...)Show SMILES OC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 |r| Show InChI InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2/t28-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin receptor 2 from homogenized rat colon |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R78HDG |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470605
(CHEMBL122169)Show SMILES Fc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 Show InChI InChI=1S/C24H25F2N3O2/c25-19-3-1-17(2-4-19)15-29-16-24(31-23(29)30)8-11-28(12-9-24)10-7-18-14-27-22-6-5-20(26)13-21(18)22/h1-6,13-14,27H,7-12,15-16H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470603
(CHEMBL124013)Show SMILES COc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 Show InChI InChI=1S/C25H28FN3O3/c1-31-21-5-2-18(3-6-21)16-29-17-25(32-24(29)30)9-12-28(13-10-25)11-8-19-15-27-23-7-4-20(26)14-22(19)23/h2-7,14-15,27H,8-13,16-17H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50097909
(1-[3-(5-Fluoro-1H-indol-3-yl)-ethyl]-4-(methylsulf...)Show SMILES OC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 |r| Show InChI InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2/t28-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin receptor 2 from homogenized rat colon |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R78HDG |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50323868
((S)-1-((4R,7S,13R)-13-((S)-2-amino-3-(4-hydroxyphe...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C61H72F6N10O9S2/c1-33(2)23-44(53(82)73-46(28-37-31-69-43-16-11-10-15-41(37)43)52(81)70-30-36-24-38(60(62,63)64)29-39(25-36)61(65,66)67)74-55(84)47-17-12-22-77(47)57(86)50-59(5,6)88-87-58(3,4)49(75-51(80)42(68)26-35-18-20-40(78)21-19-35)56(85)71-32-48(79)72-45(54(83)76-50)27-34-13-8-7-9-14-34/h7-11,13-16,18-21,24-25,29,31,33,42,44-47,49-50,69,78H,12,17,22-23,26-28,30,32,68H2,1-6H3,(H,70,81)(H,71,85)(H,72,79)(H,73,82)(H,74,84)(H,75,80)(H,76,83)/t42-,44-,45-,46-,47-,49+,50+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P frome rat NK2 receptor |
J Med Chem 53: 5491-501 (2010)
Article DOI: 10.1021/jm100157m
BindingDB Entry DOI: 10.7270/Q21N81BD |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470582
(CHEMBL126043)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O Show InChI InChI=1S/C24H26FN3O4S/c1-17-2-5-20(6-3-17)33(30,31)28-16-24(32-23(28)29)9-12-27(13-10-24)11-8-18-15-26-22-7-4-19(25)14-21(18)22/h2-7,14-15,26H,8-13,16H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470599
(CHEMBL330766)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CCN(Cc5ccccc5)C4)CC3)c2c1 Show InChI InChI=1S/C25H30FN3/c26-22-6-7-24-23(16-22)21(17-27-24)8-12-28-13-9-25(10-14-28)11-15-29(19-25)18-20-4-2-1-3-5-20/h1-7,16-17,27H,8-15,18-19H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470595
(CHEMBL122019)Show SMILES Fc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)c(F)c1 Show InChI InChI=1S/C24H24F3N3O2/c25-18-3-4-22-20(11-18)16(13-28-22)5-8-29-9-6-24(7-10-29)15-30(23(31)32-24)14-17-1-2-19(26)12-21(17)27/h1-4,11-13,28H,5-10,14-15H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(HAMSTER) | 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
UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
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Similars
| PubMed
| 6.98 | 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-K receptor
(Rattus norvegicus (Rat)) | BDBM50264406
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C59H70F6N10O9S/c1-33(2)23-46(54(81)73-48(28-38-31-67-44-14-9-8-13-42(38)44)53(80)68-30-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)74-56(83)49-15-10-21-75(49)57(84)45(20-22-85-4)72-55(82)47(27-35-11-6-5-7-12-35)71-50(77)32-69-51(78)34(3)70-52(79)43(66)26-36-16-18-41(76)19-17-36/h5-9,11-14,16-19,24-25,29,31,33-34,43,45-49,67,76H,10,15,20-23,26-28,30,32,66H2,1-4H3,(H,68,80)(H,69,78)(H,70,79)(H,71,77)(H,72,82)(H,73,81)(H,74,83)/t34-,43+,45+,46+,47+,48+,49+/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P frome rat NK2 receptor |
J Med Chem 53: 5491-501 (2010)
Article DOI: 10.1021/jm100157m
BindingDB Entry DOI: 10.7270/Q21N81BD |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(HAMSTER) | 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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PC sid
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| PubMed
| 7.32 | 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-K receptor
(Rattus norvegicus (Rat)) | BDBM50470592
(CHEMBL339311)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5cccc6ccccc56)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C28H28FN3O2/c29-23-8-9-26-25(16-23)21(17-30-26)10-13-31-14-11-28(12-15-31)19-32(27(33)34-28)18-22-6-3-5-20-4-1-2-7-24(20)22/h1-9,16-17,30H,10-15,18-19H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.90 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50212982
(4-BENZENESULFINYLMETHYL-1-[2-(5-FLUORO-1H-INDOL-3-...)Show SMILES OC1(C[S+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2 | PDB
Reactome pathway
UniProtKB/SwissProt
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| PC cid
PC sid
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Similars
| | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin receptor 2 from homogenized rat colon |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R78HDG |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50212982
(4-BENZENESULFINYLMETHYL-1-[2-(5-FLUORO-1H-INDOL-3-...)Show SMILES OC1(C[S+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2 | PDB
Reactome pathway
UniProtKB/SwissProt
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| PC cid
PC sid
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Similars
| | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin receptor 2 from homogenized rat colon |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R78HDG |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Bos taurus) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
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| 8.40 | 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-K receptor
(Bos taurus) | 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
Reactome pathway
KEGG
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PC sid
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| 8.49 | 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-K receptor
(Rattus norvegicus (Rat)) | BDBM50470597
(CHEMBL330826)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccc(Cl)cc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H25ClFN3O2/c25-19-3-1-17(2-4-19)15-29-16-24(31-23(29)30)8-11-28(12-9-24)10-7-18-14-27-22-6-5-20(26)13-21(18)22/h1-6,13-14,27H,7-12,15-16H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470606
(CHEMBL446099)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CC(=O)N(Cc5ccccc5)N4)CC3)c2c1 Show InChI InChI=1S/C24H27FN4O/c25-20-6-7-22-21(14-20)19(16-26-22)8-11-28-12-9-24(10-13-28)15-23(30)29(27-24)17-18-4-2-1-3-5-18/h1-7,14,16,26-27H,8-13,15,17H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470581
(CHEMBL341008)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(CCc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C25H28FN3O2/c26-21-6-7-23-22(16-21)20(17-27-23)9-12-28-14-10-25(11-15-28)18-29(24(30)31-25)13-8-19-4-2-1-3-5-19/h1-7,16-17,27H,8-15,18H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50323869
((S)-1-((4S,7S,13R)-13-((S)-2-amino-3-(4-hydroxyphe...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C61H72F6N10O9S2/c1-33(2)23-44(53(82)73-46(28-37-31-69-43-16-11-10-15-41(37)43)52(81)70-30-36-24-38(60(62,63)64)29-39(25-36)61(65,66)67)74-55(84)47-17-12-22-77(47)57(86)50-59(5,6)88-87-58(3,4)49(75-51(80)42(68)26-35-18-20-40(78)21-19-35)56(85)71-32-48(79)72-45(54(83)76-50)27-34-13-8-7-9-14-34/h7-11,13-16,18-21,24-25,29,31,33,42,44-47,49-50,69,78H,12,17,22-23,26-28,30,32,68H2,1-6H3,(H,70,81)(H,71,85)(H,72,79)(H,73,82)(H,74,84)(H,75,80)(H,76,83)/t42-,44-,45-,46-,47-,49+,50-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P frome rat NK2 receptor |
J Med Chem 53: 5491-501 (2010)
Article DOI: 10.1021/jm100157m
BindingDB Entry DOI: 10.7270/Q21N81BD |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470584
(CHEMBL125001)Show SMILES Cc1ccccc1CN1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O Show InChI InChI=1S/C25H28FN3O2/c1-18-4-2-3-5-20(18)16-29-17-25(31-24(29)30)9-12-28(13-10-25)11-8-19-15-27-23-7-6-21(26)14-22(19)23/h2-7,14-15,27H,8-13,16-17H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(HAMSTER) | BDBM50285956
(4-(4-Chloro-phenylamino)-6-isopropyl-2-morpholin-4...)Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCOCC2)C1=O Show InChI InChI=1S/C19H22ClN5O2/c1-12(2)25-11-15-16(18(25)26)22-19(24-7-9-27-10-8-24)23-17(15)21-14-5-3-13(20)4-6-14/h3-6,12H,7-11H2,1-2H3,(H,21,22,23) | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition constant for displacement of [3H]-NKA from Tachykinin receptor 2 found in hamster urinary bladder membrane (HUBM) |
Bioorg Med Chem Lett 5: 2879-2884 (1995)
Article DOI: 10.1016/0960-894X(95)00502-K
BindingDB Entry DOI: 10.7270/Q2DV1JTQ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470585
(CHEMBL415518)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccn5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C23H25FN4O2/c24-18-4-5-21-20(13-18)17(14-26-21)6-10-27-11-7-23(8-12-27)16-28(22(29)30-23)15-19-3-1-2-9-25-19/h1-5,9,13-14,26H,6-8,10-12,15-16H2 | PDB
Reactome pathway
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | 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
Binding affinity against tachykinin receptor 2 from rat colon. |
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 | |
Substance-K receptor
(HAMSTER) | BDBM82261
(COMPOUND I)Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)Cc2[nH]c(=O)[nH]c2O)C1=O Show InChI InChI=1S/C24H25ClN8O4/c1-13(2)33-12-16-19(22(33)36)28-23(29-20(16)26-15-5-3-14(25)4-6-15)32-9-7-31(8-10-32)18(34)11-17-21(35)30-24(37)27-17/h3-6,13H,7-12H2,1-2H3,(H,26,28,29)(H,30,35,37) | PDB
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| 17 | 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 | |
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