BDBM50235620 CHEMBL4063381
SMILES: Fc1cccc(CC2=N[C@@H](CCCCN3C[C@H](Cc4ccccc4)N(CCc4ccccc4)C3=S)CN2)c1
InChI Key: InChIKey=YABDGLYIQKEODM-KYJUHHDHSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nuclear receptor ROR-gamma (Mus musculus) | BDBM50235620![]() (CHEMBL4063381) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies Curated by ChEMBL | Assay Description Antagonist activity at mouse Gal4-fused DBD RORgamma LBD (Pro-261-end) expressed in TRex-CHOK1 cells after 20 hrs by luciferase reporter gene assay | Bioorg Med Chem Lett 27: 1608-1610 (2017) Article DOI: 10.1016/j.bmcl.2017.02.014 BindingDB Entry DOI: 10.7270/Q29W0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-alpha (Homo sapiens (Human)) | BDBM50235620![]() (CHEMBL4063381) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies Curated by ChEMBL | Assay Description Antagonist activity at human Gal4-fused DBD RORalpha LBD (Pro-211-end) expressed in TRex-CHOK1 cells after 20 hrs by luciferase reporter gene assay | Bioorg Med Chem Lett 27: 1608-1610 (2017) Article DOI: 10.1016/j.bmcl.2017.02.014 BindingDB Entry DOI: 10.7270/Q29W0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-beta (Rattus norvegicus) | BDBM50235620![]() (CHEMBL4063381) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies Curated by ChEMBL | Assay Description Antagonist activity at rat Gal4-fused DBD RORbeta LBD (Pro-205-end) expressed in TRex-CHOK1 cells after 20 hrs by luciferase reporter gene assay | Bioorg Med Chem Lett 27: 1608-1610 (2017) Article DOI: 10.1016/j.bmcl.2017.02.014 BindingDB Entry DOI: 10.7270/Q29W0HRF | |||||||||||
More data for this Ligand-Target Pair |