Found 23 hits of Enzyme Inhibition Constant Data 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-K receptor
(Rattus norvegicus (Rat)) | BDBM50406732
(CHEMBL269731)Show SMILES CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC1=O)C2=O |c:14| Show InChI InChI=1S/C40H52N8O9S/c1-23(2)19-32-39(56)44-28(16-18-58-3)35(52)42-22-34(51)43-27(13-14-33(41)50)36(53)46-31(21-25-9-11-26(49)12-10-25)38(55)47-30(20-24-7-5-4-6-8-24)37(54)45-29-15-17-48(32)40(29)57/h4-12,15,17,23,27-32,49H,13-14,16,18-22H2,1-3H3,(H2,41,50)(H,42,52)(H,43,51)(H,44,56)(H,45,54)(H,46,53)(H,47,55)/t27-,28+,29?,30-,31+,32-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406740
(CHEMBL266224)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O |c:14| Show InChI InChI=1S/C40H50N8O7S/c1-23(2)19-33-39(54)44-29(16-18-56-3)36(51)43-28(13-14-34(41)49)35(50)47-32(21-25-22-42-27-12-8-7-11-26(25)27)38(53)46-31(20-24-9-5-4-6-10-24)37(52)45-30-15-17-48(33)40(30)55/h4-12,15,17,22-23,28-33,42H,13-14,16,18-21H2,1-3H3,(H2,41,49)(H,43,51)(H,44,54)(H,45,52)(H,46,53)(H,47,50)/t28-,29+,30?,31-,32+,33-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50406736
(CHEMBL406142)Show SMILES CC(C)C[C@@H]1N2C=CC(NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(N)=O)NC(=O)[C@@H](CCSCCSCC[C@H]3NC(=O)[C@H](CC(C)C)N4C=CC(NC(=O)[C@H](Cc5ccccc5)N(C)C(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(CCC(N)=O)NC3=O)C4=O)NC1=O)C2=O |c:6,69| Show InChI InChI=1S/C82H102N16O14S2/c1-47(2)39-67-77(107)89-59(73(103)87-57(25-27-69(83)99)71(101)93-63(43-51-45-85-55-23-15-13-21-53(51)55)79(109)95(5)65(41-49-17-9-7-10-18-49)75(105)91-61-29-33-97(67)81(61)111)31-35-113-37-38-114-36-32-60-74(104)88-58(26-28-70(84)100)72(102)94-64(44-52-46-86-56-24-16-14-22-54(52)56)80(110)96(6)66(42-50-19-11-8-12-20-50)76(106)92-62-30-34-98(82(62)112)68(40-48(3)4)78(108)90-60/h7-24,29-30,33-34,45-48,57-68,85-86H,25-28,31-32,35-44H2,1-6H3,(H2,83,99)(H2,84,100)(H,87,103)(H,88,104)(H,89,107)(H,90,108)(H,91,105)(H,92,106)(H,93,101)(H,94,102)/t57?,58?,59-,60-,61?,62?,63?,64?,65+,66+,67+,68+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Tested for antagonist activity toward NK-1 receptor in guinea pig ileum against the agonist eledoisin |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50406732
(CHEMBL269731)Show SMILES CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC1=O)C2=O |c:14| Show InChI InChI=1S/C40H52N8O9S/c1-23(2)19-32-39(56)44-28(16-18-58-3)35(52)42-22-34(51)43-27(13-14-33(41)50)36(53)46-31(21-25-9-11-26(49)12-10-25)38(55)47-30(20-24-7-5-4-6-8-24)37(54)45-29-15-17-48(32)40(29)57/h4-12,15,17,23,27-32,49H,13-14,16,18-22H2,1-3H3,(H2,41,50)(H,42,52)(H,43,51)(H,44,56)(H,45,54)(H,46,53)(H,47,55)/t27-,28+,29?,30-,31+,32-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406745
(CHEMBL268293)Show SMILES CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O Show InChI InChI=1S/C36H47N7O6S/c1-21(2)17-28-34(47)40-27(15-16-50-3)33(46)39-26(13-14-31(37)44)32(45)43-30(19-23-20-38-25-12-8-7-11-24(23)25)36(49)42-29(35(48)41-28)18-22-9-5-4-6-10-22/h4-12,20-21,26-30,38H,13-19H2,1-3H3,(H2,37,44)(H,39,46)(H,40,47)(H,41,48)(H,42,49)(H,43,45)/t26-,27+,28-,29-,30+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406744
(CHEMBL265666)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)C(C)(NC(=O)CNC1=O)c1cccc3ccccc13)C2=O |c:14| Show InChI InChI=1S/C39H46N6O6S/c1-24(2)21-32-36(49)41-29(18-20-52-4)34(47)40-23-33(46)44-39(3,28-16-10-14-26-13-8-9-15-27(26)28)38(51)43-31(22-25-11-6-5-7-12-25)35(48)42-30-17-19-45(32)37(30)50/h5-17,19,24,29-32H,18,20-23H2,1-4H3,(H,40,47)(H,41,49)(H,42,48)(H,43,51)(H,44,46)/t29-,30?,31+,32+,39?/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406746
(CHEMBL427627)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)C(C)(NC(=O)C(CCC(N)=O)NC1=O)c1cccc3ccccc13)C2=O |c:14| Show InChI InChI=1S/C42H51N7O7S/c1-25(2)23-34-39(54)45-31(20-22-57-4)36(51)44-30(17-18-35(43)50)38(53)48-42(3,29-16-10-14-27-13-8-9-15-28(27)29)41(56)47-33(24-26-11-6-5-7-12-26)37(52)46-32-19-21-49(34)40(32)55/h5-16,19,21,25,30-34H,17-18,20,22-24H2,1-4H3,(H2,43,50)(H,44,51)(H,45,54)(H,46,52)(H,47,56)(H,48,53)/t30?,31-,32?,33+,34+,42?/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406737
(CHEMBL267356)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(N)=O)NC1=O)C2=O |c:14| Show InChI InChI=1S/C40H50N8O7S/c1-23(2)19-33-39(54)44-29(16-18-56-3)36(51)43-28(13-14-34(41)49)35(50)47-32(21-25-22-42-27-12-8-7-11-26(25)27)38(53)46-31(20-24-9-5-4-6-10-24)37(52)45-30-15-17-48(33)40(30)55/h4-12,15,17,22-23,28-33,42H,13-14,16,18-21H2,1-3H3,(H2,41,49)(H,43,51)(H,44,54)(H,45,52)(H,46,53)(H,47,50)/t28?,29-,30?,31+,32?,33+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50406733
(CHEMBL2370702)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O Show InChI InChI=1S/C38H50N8O7S/c1-22(2)17-29-37(52)44-28(15-16-54-3)36(51)43-27(13-14-32(39)47)35(50)46-31(19-24-20-40-26-12-8-7-11-25(24)26)38(53)45-30(18-23-9-5-4-6-10-23)34(49)41-21-33(48)42-29/h4-12,20,22,27-31,40H,13-19,21H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,51)(H,44,52)(H,45,53)(H,46,50)/t27-,28+,29-,30-,31+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin (mean +/-, n=4) |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50406740
(CHEMBL266224)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O |c:14| Show InChI InChI=1S/C40H50N8O7S/c1-23(2)19-33-39(54)44-29(16-18-56-3)36(51)43-28(13-14-34(41)49)35(50)47-32(21-25-22-42-27-12-8-7-11-26(25)27)38(53)46-31(20-24-9-5-4-6-10-24)37(52)45-30-15-17-48(33)40(30)55/h4-12,15,17,22-23,28-33,42H,13-14,16,18-21H2,1-3H3,(H2,41,49)(H,43,51)(H,44,54)(H,45,52)(H,46,53)(H,47,50)/t28-,29+,30?,31-,32+,33-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406736
(CHEMBL406142)Show SMILES CC(C)C[C@@H]1N2C=CC(NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(N)=O)NC(=O)[C@@H](CCSCCSCC[C@H]3NC(=O)[C@H](CC(C)C)N4C=CC(NC(=O)[C@H](Cc5ccccc5)N(C)C(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(CCC(N)=O)NC3=O)C4=O)NC1=O)C2=O |c:6,69| Show InChI InChI=1S/C82H102N16O14S2/c1-47(2)39-67-77(107)89-59(73(103)87-57(25-27-69(83)99)71(101)93-63(43-51-45-85-55-23-15-13-21-53(51)55)79(109)95(5)65(41-49-17-9-7-10-18-49)75(105)91-61-29-33-97(67)81(61)111)31-35-113-37-38-114-36-32-60-74(104)88-58(26-28-70(84)100)72(102)94-64(44-52-46-86-56-24-16-14-22-54(52)56)80(110)96(6)66(42-50-19-11-8-12-20-50)76(106)92-62-30-34-98(82(62)112)68(40-48(3)4)78(108)90-60/h7-24,29-30,33-34,45-48,57-68,85-86H,25-28,31-32,35-44H2,1-6H3,(H2,83,99)(H2,84,100)(H,87,103)(H,88,104)(H,89,107)(H,90,108)(H,91,105)(H,92,106)(H,93,101)(H,94,102)/t57?,58?,59-,60-,61?,62?,63?,64?,65+,66+,67+,68+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406738
(CHEMBL414195)Show SMILES CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC1=O)C2=O |c:14| Show InChI InChI=1S/C40H52N8O8S/c1-24(2)20-32-39(55)44-28(17-19-57-3)35(51)42-23-34(50)43-27(14-15-33(41)49)36(52)46-31(22-26-12-8-5-9-13-26)38(54)47-30(21-25-10-6-4-7-11-25)37(53)45-29-16-18-48(32)40(29)56/h4-13,16,18,24,27-32H,14-15,17,19-23H2,1-3H3,(H2,41,49)(H,42,51)(H,43,50)(H,44,55)(H,45,53)(H,46,52)(H,47,54)/t27-,28+,29?,30-,31+,32-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406741
(CHEMBL268599)Show SMILES CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC1=O)C2=O |c:14| Show InChI InChI=1S/C42H53N9O8S/c1-24(2)19-34-41(58)47-30(16-18-60-3)37(54)45-23-36(53)46-29(13-14-35(43)52)38(55)50-33(21-26-22-44-28-12-8-7-11-27(26)28)40(57)49-32(20-25-9-5-4-6-10-25)39(56)48-31-15-17-51(34)42(31)59/h4-12,15,17,22,24,29-34,44H,13-14,16,18-21,23H2,1-3H3,(H2,43,52)(H,45,54)(H,46,53)(H,47,58)(H,48,56)(H,49,57)(H,50,55)/t29-,30+,31?,32-,33?,34-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406742
(CHEMBL268866)Show SMILES CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC1=O)C2=O |c:14| Show InChI InChI=1S/C42H53N9O8S/c1-24(2)19-34-41(58)47-30(16-18-60-3)37(54)45-23-36(53)46-29(13-14-35(43)52)38(55)50-33(21-26-22-44-28-12-8-7-11-27(26)28)40(57)49-32(20-25-9-5-4-6-10-25)39(56)48-31-15-17-51(34)42(31)59/h4-12,15,17,22,24,29-34,44H,13-14,16,18-21,23H2,1-3H3,(H2,43,52)(H,45,54)(H,46,53)(H,47,58)(H,48,56)(H,49,57)(H,50,55)/t29-,30+,31?,32-,33-,34-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50406733
(CHEMBL2370702)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O Show InChI InChI=1S/C38H50N8O7S/c1-22(2)17-29-37(52)44-28(15-16-54-3)36(51)43-27(13-14-32(39)47)35(50)46-31(19-24-20-40-26-12-8-7-11-25(24)26)38(53)45-30(18-23-9-5-4-6-10-23)34(49)41-21-33(48)42-29/h4-12,20,22,27-31,40H,13-19,21H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,51)(H,44,52)(H,45,53)(H,46,50)/t27-,28+,29-,30-,31+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Tested for antagonist activity toward NK-1 receptor in guinea pig ileum against the agonist eledoisin (mean +/-, n=4) |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406743
(CHEMBL6241)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O Show InChI InChI=1S/C41H54N8O7S/c1-24(2)20-31-38(53)45-30(17-19-57-3)37(52)44-29(15-16-35(42)50)36(51)46-32(22-26-23-43-28-13-8-7-12-27(26)28)39(54)48-33(21-25-10-5-4-6-11-25)41(56)49-18-9-14-34(49)40(55)47-31/h4-8,10-13,23-24,29-34,43H,9,14-22H2,1-3H3,(H2,42,50)(H,44,52)(H,45,53)(H,46,51)(H,47,55)(H,48,54)/t29-,30+,31-,32+,33-,34+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406739
(CHEMBL266884)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(N)=O)NC1=O)C2=O |c:14| Show InChI InChI=1S/C41H52N8O7S/c1-24(2)20-34-39(54)45-30(17-19-57-4)37(52)44-29(14-15-35(42)50)36(51)47-32(22-26-23-43-28-13-9-8-12-27(26)28)40(55)48(3)33(21-25-10-6-5-7-11-25)38(53)46-31-16-18-49(34)41(31)56/h5-13,16,18,23-24,29-34,43H,14-15,17,19-22H2,1-4H3,(H2,42,50)(H,44,52)(H,45,54)(H,46,53)(H,47,51)/t29?,30-,31?,32?,33+,34+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50406739
(CHEMBL266884)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(N)=O)NC1=O)C2=O |c:14| Show InChI InChI=1S/C41H52N8O7S/c1-24(2)20-34-39(54)45-30(17-19-57-4)37(52)44-29(14-15-35(42)50)36(51)47-32(22-26-23-43-28-13-9-8-12-27(26)28)40(55)48(3)33(21-25-10-6-5-7-11-25)38(53)46-31-16-18-49(34)41(31)56/h5-13,16,18,23-24,29-34,43H,14-15,17,19-22H2,1-4H3,(H2,42,50)(H,44,52)(H,45,54)(H,46,53)(H,47,51)/t29?,30-,31?,32?,33+,34+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406734
(CHEMBL269135)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)C(CCC(N)=O)NC1=O)C2=O |c:14| Show InChI InChI=1S/C38H49N7O7S/c1-23(2)20-31-37(51)41-27(17-19-53-3)34(48)40-26(14-15-32(39)46)33(47)43-30(22-25-12-8-5-9-13-25)36(50)44-29(21-24-10-6-4-7-11-24)35(49)42-28-16-18-45(31)38(28)52/h4-13,16,18,23,26-31H,14-15,17,19-22H2,1-3H3,(H2,39,46)(H,40,48)(H,41,51)(H,42,49)(H,43,47)(H,44,50)/t26?,27-,28?,29+,30-,31+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50406739
(CHEMBL266884)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(N)=O)NC1=O)C2=O |c:14| Show InChI InChI=1S/C41H52N8O7S/c1-24(2)20-34-39(54)45-30(17-19-57-4)37(52)44-29(14-15-35(42)50)36(51)47-32(22-26-23-43-28-13-9-8-12-27(26)28)40(55)48(3)33(21-25-10-6-5-7-11-25)38(53)46-31-16-18-49(34)41(31)56/h5-13,16,18,23-24,29-34,43H,14-15,17,19-22H2,1-4H3,(H2,42,50)(H,44,52)(H,45,54)(H,46,53)(H,47,51)/t29?,30-,31?,32?,33+,34+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Tested for antagonist activity toward NK-1 receptor in guinea pig ileum against the agonist eledoisin |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406733
(CHEMBL2370702)Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O Show InChI InChI=1S/C38H50N8O7S/c1-22(2)17-29-37(52)44-28(15-16-54-3)36(51)43-27(13-14-32(39)47)35(50)46-31(19-24-20-40-26-12-8-7-11-25(24)26)38(53)45-30(18-23-9-5-4-6-10-23)34(49)41-21-33(48)42-29/h4-12,20,22,27-31,40H,13-19,21H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,51)(H,44,52)(H,45,53)(H,46,50)/t27-,28+,29-,30-,31+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50406736
(CHEMBL406142)Show SMILES CC(C)C[C@@H]1N2C=CC(NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(N)=O)NC(=O)[C@@H](CCSCCSCC[C@H]3NC(=O)[C@H](CC(C)C)N4C=CC(NC(=O)[C@H](Cc5ccccc5)N(C)C(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(CCC(N)=O)NC3=O)C4=O)NC1=O)C2=O |c:6,69| Show InChI InChI=1S/C82H102N16O14S2/c1-47(2)39-67-77(107)89-59(73(103)87-57(25-27-69(83)99)71(101)93-63(43-51-45-85-55-23-15-13-21-53(51)55)79(109)95(5)65(41-49-17-9-7-10-18-49)75(105)91-61-29-33-97(67)81(61)111)31-35-113-37-38-114-36-32-60-74(104)88-58(26-28-70(84)100)72(102)94-64(44-52-46-86-56-24-16-14-22-54(52)56)80(110)96(6)66(42-50-19-11-8-12-20-50)76(106)92-62-30-34-98(82(62)112)68(40-48(3)4)78(108)90-60/h7-24,29-30,33-34,45-48,57-68,85-86H,25-28,31-32,35-44H2,1-6H3,(H2,83,99)(H2,84,100)(H,87,103)(H,88,104)(H,89,107)(H,90,108)(H,91,105)(H,92,106)(H,93,101)(H,94,102)/t57?,58?,59-,60-,61?,62?,63?,64?,65+,66+,67+,68+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Tested antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50406735
(CHEMBL2370528)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(C)C)NC2=O Show InChI InChI=1S/C41H54N8O7S/c1-24(2)20-31-38(53)45-30(17-19-57-3)37(52)44-29(15-16-35(42)50)36(51)46-32(22-26-23-43-28-13-8-7-12-27(26)28)39(54)48-33(21-25-10-5-4-6-11-25)41(56)49-18-9-14-34(49)40(55)47-31/h4-8,10-13,23-24,29-34,43H,9,14-22H2,1-3H3,(H2,42,50)(H,44,52)(H,45,53)(H,46,51)(H,47,55)(H,48,54)/t29-,30+,31-,32+,33-,34-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens |
J Med Chem 36: 2-10 (1993)
BindingDB Entry DOI: 10.7270/Q26M3821 |
More data for this Ligand-Target Pair | |