Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.3 BDBM458133

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM458133 (US10752616, Code No. BHBA-005) Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1N)C(O)=O Show InChI InChI=1S/C19H15N3O4/c1-9-3-4-10(2)16-13(9)8-15(25-16)18-21-17(22-26-18)12-6-5-11(19(23)24)7-14(12)20/h3-8H,20H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	23	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) BindingDB Entry DOI: 10.7270/Q2B85C6M
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM458133 (US10752616, Code No. BHBA-005) Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1N)C(O)=O Show InChI InChI=1S/C19H15N3O4/c1-9-3-4-10(2)16-13(9)8-15(25-16)18-21-17(22-26-18)12-6-5-11(19(23)24)7-14(12)20/h3-8H,20H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	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) BindingDB Entry DOI: 10.7270/Q2B85C6M
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM458133 (US10752616, Code No. BHBA-005) Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1N)C(O)=O Show InChI InChI=1S/C19H15N3O4/c1-9-3-4-10(2)16-13(9)8-15(25-16)18-21-17(22-26-18)12-6-5-11(19(23)24)7-14(12)20/h3-8H,20H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	130	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) BindingDB Entry DOI: 10.7270/Q2B85C6M
					More data for this Ligand-Target Pair