BindingDB PrimarySearch

BDBM50526314 CHEMBL4459692::US10752616, Code No. BHBA-001

SMILES: Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=AVCXUODHLRZJJP-UHFFFAOYSA-N

Data: 5 IC50 7 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50526314
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.94	n/a	n/a	n/a	n/a
King''s College London US Patent					Assay Description Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...				US Patent US10752616 (2020)
King''s College London US Patent					More data for this Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha (Homo sapiens (Human))	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
King''s College London US Patent					Assay Description Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...				US Patent US10752616 (2020)
King''s College London US Patent					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human))	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
King''s College London US Patent					Assay Description Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...				US Patent US10752616 (2020)
King''s College London US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis				Bioorg Med Chem Lett 29: 995-1000 (2019) Article DOI: 10.1016/j.bmcl.2019.02.011
King's College Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
King's College Curated by ChEMBL					Assay Description Transactivation of GAL4 DBD-fused human RARbeta-LBD expressed in HEK293 cells by beta-lactamase reporter gene based assay				Bioorg Med Chem Lett 29: 995-1000 (2019) Article DOI: 10.1016/j.bmcl.2019.02.011
King's College Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis				Bioorg Med Chem Lett 29: 995-1000 (2019) Article DOI: 10.1016/j.bmcl.2019.02.011
King's College Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Mus musculus)	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
King's College Curated by ChEMBL					Assay Description Transactivation of GAL4-fused mouse RARgamma-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay				Bioorg Med Chem Lett 29: 995-1000 (2019) Article DOI: 10.1016/j.bmcl.2019.02.011
King's College Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis				Bioorg Med Chem Lett 29: 995-1000 (2019) Article DOI: 10.1016/j.bmcl.2019.02.011
King's College Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis				Bioorg Med Chem Lett 29: 995-1000 (2019) Article DOI: 10.1016/j.bmcl.2019.02.011
King's College Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis				Bioorg Med Chem Lett 29: 995-1000 (2019) Article DOI: 10.1016/j.bmcl.2019.02.011
King's College Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Mus musculus)	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
King's College Curated by ChEMBL					Assay Description Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay				Bioorg Med Chem Lett 29: 995-1000 (2019) Article DOI: 10.1016/j.bmcl.2019.02.011
King's College Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Mus musculus)	BDBM50526314 (CHEMBL4459692 \| US10752616, Code No. BHBA-001) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
King's College Curated by ChEMBL					Assay Description Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay				Bioorg Med Chem Lett 29: 995-1000 (2019) Article DOI: 10.1016/j.bmcl.2019.02.011
King's College Curated by ChEMBL					More data for this Ligand-Target Pair