BDBM50052524 (S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-phenyl-ethyl]-methyl-carbamoyl}-2-phenyl-ethyl)-3-(3-carboxy-propionylamino)-succinamic acid::CHEMBL106124::senktide
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
InChI Key: InChIKey=HMHYXLVEFVGOPM-QKUYTOGTSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis | J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Displacement of [3H]-Substance P from human NK1R after 90 mins by scintillation counting analysis | J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Displacement of [125I]NKA from human NK2R expressed in CHO cell membranes after 90 mins by scintillation counting analysis | J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 3 receptor (Rattus norvegicus) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
Hebrew University of Jerusalem Curated by ChEMBL | Assay Description Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV) | J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting | J Med Chem 57: 8646-51 (2014) Article DOI: 10.1021/jm500771w BindingDB Entry DOI: 10.7270/Q2W66NCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect | J Med Chem 57: 8646-51 (2014) Article DOI: 10.1021/jm500771w BindingDB Entry DOI: 10.7270/Q2W66NCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Rattus norvegicus) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Agonist activity at rat NK3R | J Med Chem 57: 8646-51 (2014) Article DOI: 10.1021/jm500771w BindingDB Entry DOI: 10.7270/Q2W66NCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation | Bioorg Med Chem Lett 16: 5752-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp Laboratory Curated by ChEMBL | Assay Description Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells | Bioorg Med Chem Lett 8: 1343-8 (1999) BindingDB Entry DOI: 10.7270/Q2QV3N16 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells | Bioorg Med Chem Lett 4: 1679-1684 (1994) Article DOI: 10.1016/S0960-894X(00)80360-1 BindingDB Entry DOI: 10.7270/Q22V2GMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site Curated by ChEMBL | Assay Description Inhibitory activity against Tachykinin receptor 1 in human lymphoma IM9 cells labeled with [125I]Bolton-Hunter substance P | J Med Chem 39: 1664-75 (1996) Article DOI: 10.1021/jm950892r BindingDB Entry DOI: 10.7270/Q2CJ8F4R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 3 receptor (Rattus norvegicus) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site Curated by ChEMBL | Assay Description Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB | J Med Chem 39: 1664-75 (1996) Article DOI: 10.1021/jm950892r BindingDB Entry DOI: 10.7270/Q2CJ8F4R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site Curated by ChEMBL | Assay Description Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7] | J Med Chem 39: 1664-75 (1996) Article DOI: 10.1021/jm950892r BindingDB Entry DOI: 10.7270/Q2CJ8F4R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand | Bioorg Med Chem Lett 5: 1773-1778 (1995) Article DOI: 10.1016/0960-894X(95)00313-I BindingDB Entry DOI: 10.7270/Q2QF8TCH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Rattus norvegicus (Rat)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a |
Hebrew University of Jerusalem Curated by ChEMBL | Assay Description Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD) | J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Merck Sharp Laboratory Curated by ChEMBL | Assay Description Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells | Bioorg Med Chem Lett 8: 1343-8 (1999) BindingDB Entry DOI: 10.7270/Q2QV3N16 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TACR3 (GUINEA PIG) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site Curated by ChEMBL | Assay Description Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7] | J Med Chem 39: 1664-75 (1996) Article DOI: 10.1021/jm950892r BindingDB Entry DOI: 10.7270/Q2CJ8F4R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (GUINEA PIG) | BDBM50052524 ((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a |
Hebrew University of Jerusalem Curated by ChEMBL | Assay Description Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI) | J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ | |||||||||||
More data for this Ligand-Target Pair |