BDBM50336997 2-chloro-4-((1R,2S)-1-(5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl)-2-hydroxypropylamino)-3-methylbenzonitrile::CHEMBL1672635
SMILES: C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N
InChI Key: InChIKey=XMBUPPIEVAFYHO-KPZWWZAWSA-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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Androgen Receptor (Homo sapiens (Human)) | BDBM50336997 (2-chloro-4-((1R,2S)-1-(5-(4-cyanophenyl)-1,3,4-oxa...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assay | ACS Med Chem Lett 2: 124-129 (2011) Article DOI: 10.1021/ml1002508 BindingDB Entry DOI: 10.7270/Q2JQ119N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50336997 (2-chloro-4-((1R,2S)-1-(5-(4-cyanophenyl)-1,3,4-oxa...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonist activity at androgen receptor expressed in mouse C2C12 cells assessed as osteoblast differentiation after 5 days | ACS Med Chem Lett 2: 124-129 (2011) Article DOI: 10.1021/ml1002508 BindingDB Entry DOI: 10.7270/Q2JQ119N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50336997 (2-chloro-4-((1R,2S)-1-(5-(4-cyanophenyl)-1,3,4-oxa...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity to progesterone receptor | ACS Med Chem Lett 2: 124-129 (2011) Article DOI: 10.1021/ml1002508 BindingDB Entry DOI: 10.7270/Q2JQ119N | |||||||||||
More data for this Ligand-Target Pair |