BDBM50244213 5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)-1-ethylpyrimidine-2,4(1H,3H)-dione::CHEMBL460480
SMILES: CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O
InChI Key: InChIKey=YJBAGQATRBRFBC-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50244213 (5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Binding affinity to 5HT2A receptor (unknown origin) | Bioorg Med Chem 16: 6617-40 (2008) Article DOI: 10.1016/j.bmc.2008.05.024 BindingDB Entry DOI: 10.7270/Q2FB52Q7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Rattus norvegicus) | BDBM50244213 (5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc Curated by ChEMBL | Assay Description Binding affinity at rat GnRH receptor by competition binding assay | J Med Chem 51: 3331-48 (2008) Article DOI: 10.1021/jm701249f BindingDB Entry DOI: 10.7270/Q2KD1XQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Homo sapiens (Human)) | BDBM50244213 (5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [125I]-(D-Trp6)LHRH from human recombinant GnRH receptor | Bioorg Med Chem 16: 6617-40 (2008) Article DOI: 10.1016/j.bmc.2008.05.024 BindingDB Entry DOI: 10.7270/Q2FB52Q7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Homo sapiens (Human)) | BDBM50244213 (5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Antagonist activity at human recombinant GnRH receptor assessed as reduction in (D-Trp6)LHRH-induced myo-(1,2)-[3H]inositol production | Bioorg Med Chem 16: 6617-40 (2008) Article DOI: 10.1016/j.bmc.2008.05.024 BindingDB Entry DOI: 10.7270/Q2FB52Q7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Homo sapiens (Human)) | BDBM50244213 (5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Antagonist activity at human recombinant GnRH receptor expressed in HEK293 cells assessed as reduction in (D-Trp6)-GnRH-stimulated IP production by w... | Bioorg Med Chem Lett 19: 1986-90 (2009) Article DOI: 10.1016/j.bmcl.2009.02.043 BindingDB Entry DOI: 10.7270/Q28S4PS4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Rattus norvegicus) | BDBM50244213 (5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Antagonist activity at recombinant GnRH receptor in CO2 asphyxiated rat primary pituitary cells assessed as reduction in (D-Trp6)LHRH-induced LH rele... | Bioorg Med Chem 16: 6617-40 (2008) Article DOI: 10.1016/j.bmc.2008.05.024 BindingDB Entry DOI: 10.7270/Q2FB52Q7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Rattus norvegicus) | BDBM50244213 (5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [125I]-(D-Trp6)-GnRH from rat GnRH receptor | Bioorg Med Chem Lett 19: 1986-90 (2009) Article DOI: 10.1016/j.bmcl.2009.02.043 BindingDB Entry DOI: 10.7270/Q28S4PS4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Homo sapiens (Human)) | BDBM50244213 (5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor | Bioorg Med Chem Lett 19: 1986-90 (2009) Article DOI: 10.1016/j.bmcl.2009.02.043 BindingDB Entry DOI: 10.7270/Q28S4PS4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Homo sapiens (Human)) | BDBM50244213 (5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc Curated by ChEMBL | Assay Description Binding affinity at human GnRH receptor by competition binding assay | J Med Chem 51: 3331-48 (2008) Article DOI: 10.1021/jm701249f BindingDB Entry DOI: 10.7270/Q2KD1XQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Rattus norvegicus) | BDBM50244213 (5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 17.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [125I]-(D-Trp6)LHRH from rat recombinant GnRH receptor | Bioorg Med Chem 16: 6617-40 (2008) Article DOI: 10.1016/j.bmc.2008.05.024 BindingDB Entry DOI: 10.7270/Q2FB52Q7 | |||||||||||
More data for this Ligand-Target Pair |