BDBM50006990 CHEMBL299499::N-Adamantan-1-yl-N'-(4-iodo-phenyl)-guanidine
SMILES: NC(Nc1ccc(I)cc1)=NC12CC3CC(CC(C3)C1)C2
InChI Key: InChIKey=BNRDJYCVXAIEIV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50006990 (CHEMBL299499 | N-Adamantan-1-yl-N'-(4-iodo-phenyl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Drexel University College of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 in human MDA-MB-468 cell membranes | Bioorg Med Chem Lett 27: 2216-2220 (2017) Article DOI: 10.1016/j.bmcl.2017.03.030 BindingDB Entry DOI: 10.7270/Q2P84F1X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50006990 (CHEMBL299499 | N-Adamantan-1-yl-N'-(4-iodo-phenyl)...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 491 | n/a | n/a | n/a | n/a | n/a | n/a |
Drexel University College of Medicine Curated by ChEMBL | Assay Description Inhibition of human ERG | Bioorg Med Chem Lett 27: 2216-2220 (2017) Article DOI: 10.1016/j.bmcl.2017.03.030 BindingDB Entry DOI: 10.7270/Q2P84F1X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50006990 (CHEMBL299499 | N-Adamantan-1-yl-N'-(4-iodo-phenyl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a |
Drexel University College of Medicine Curated by ChEMBL | Assay Description Antagonist activity at full length human androgen receptor expressed in mammalian expression system measured after 22 to 24 hrs by luciferase reporte... | Bioorg Med Chem Lett 27: 2216-2220 (2017) Article DOI: 10.1016/j.bmcl.2017.03.030 BindingDB Entry DOI: 10.7270/Q2P84F1X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50006990 (CHEMBL299499 | N-Adamantan-1-yl-N'-(4-iodo-phenyl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutions Curated by ChEMBL | Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain | J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50006990 (CHEMBL299499 | N-Adamantan-1-yl-N'-(4-iodo-phenyl)...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Drexel University College of Medicine Curated by ChEMBL | Assay Description Inhibition of human ERG expressed in CHOK1 cells by Qpatch clamp method | Bioorg Med Chem Lett 27: 2216-2220 (2017) Article DOI: 10.1016/j.bmcl.2017.03.030 BindingDB Entry DOI: 10.7270/Q2P84F1X | |||||||||||
More data for this Ligand-Target Pair |