BDBM50153658 CHEMBL3775378
SMILES: CC(C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1
InChI Key: InChIKey=WHZIOQODOSOYPX-DGIIRHPGSA-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 |
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Estrogen receptor (Homo sapiens (Human)) | BDBM50153658 (CHEMBL3775378) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay | ACS Med Chem Lett 7: 94-9 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XHZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50153658 (CHEMBL3775378) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay | ACS Med Chem Lett 7: 94-9 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XHZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50153658 (CHEMBL3775378) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of recombinant human adenosine receptor A1 expressed in CHO cells | ACS Med Chem Lett 7: 94-9 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XHZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50153658 (CHEMBL3775378) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human recombinant mu1 opioid receptor expressed in HEK293 cells | ACS Med Chem Lett 7: 94-9 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XHZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BDKRB2 (Homo sapiens (Human)) | BDBM50153658 (CHEMBL3775378) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of recombinant human bradykinin receptor 2 expressed in CHO cells | ACS Med Chem Lett 7: 94-9 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XHZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50153658 (CHEMBL3775378) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human ERG tail current by plate-based planar patch clamp system | ACS Med Chem Lett 7: 94-9 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XHZ | |||||||||||
More data for this Ligand-Target Pair |