BDBM50081194 CHEMBL3422009::US10544150, Compound 156
SMILES: C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1F)C(=O)c1ccc(cc1)-c1cccs1
InChI Key: InChIKey=ZSIQAOCNFRWDNJ-OAHLLOKOSA-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)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | Reactome pathway KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | 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]-SB222200 from recombinant 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 | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | Reactome pathway KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Binding affinity to human recombinant NK3R by radioligand binding assay | ACS Med Chem Lett 6: 736-40 (2015) BindingDB Entry DOI: 10.7270/Q2TQ639V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NK-3 receptor (Macaca mulatta) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 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]-SB222200 from monkey NK3R 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 | |||||||||||||
Neuromedin-K receptor (Rattus norvegicus) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | 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]-SB222200 from rat NK3R 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 | |||||||||||||
Neuromedin-K receptor (Rattus norvegicus) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | 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]-SB222200 from rat NK3R 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 (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | Reactome pathway KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | <500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ogeda SA US Patent | Assay Description The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r... | US Patent US10544150 (2020) BindingDB Entry DOI: 10.7270/Q2XW4N7G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | Reactome pathway KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 794 | 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]-neurokinin A from human NK2R 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)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.26E+3 | 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 | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of human ERG expressed in HEK293 cells after 5 mins by patch-clamp assay | 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 | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of CYP2C19 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system | 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 | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of CYP2C9 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system | 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 | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system | 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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system | 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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | ACS Med Chem Lett 6: 736-40 (2015) BindingDB Entry DOI: 10.7270/Q2TQ639V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of CYP1A2 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system | 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 | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | Reactome pathway KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ biolumines... | 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 | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) | ACS Med Chem Lett 6: 736-40 (2015) BindingDB Entry DOI: 10.7270/Q2TQ639V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of CYP2C9 (unknown origin) | ACS Med Chem Lett 6: 736-40 (2015) BindingDB Entry DOI: 10.7270/Q2TQ639V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of CYP2C19 (unknown origin) | ACS Med Chem Lett 6: 736-40 (2015) BindingDB Entry DOI: 10.7270/Q2TQ639V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of CYP1A2 (unknown origin) | ACS Med Chem Lett 6: 736-40 (2015) BindingDB Entry DOI: 10.7270/Q2TQ639V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Inhibition of human ERG | ACS Med Chem Lett 6: 736-40 (2015) BindingDB Entry DOI: 10.7270/Q2TQ639V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) | Reactome pathway KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA Curated by ChEMBL | Assay Description Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay | ACS Med Chem Lett 6: 736-40 (2015) BindingDB Entry DOI: 10.7270/Q2TQ639V | |||||||||||
More data for this Ligand-Target Pair |