Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 367.4 BDBM50080526

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

Found 4 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))	BDBM50080526 (1,4,4-Trimethyl-1,2,3,4-tetrahydro-quinoline-6-car...) Show SMILES CCOC(=O)c1ccc(OC(=O)c2ccc3N(C)CCC(C)(C)c3c2)cc1 Show InChI InChI=1S/C22H25NO4/c1-5-26-20(24)15-6-9-17(10-7-15)27-21(25)16-8-11-19-18(14-16)22(2,3)12-13-23(19)4/h6-11,14H,5,12-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	256	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta				J Med Chem 42: 3602-14 (1999) Article DOI: 10.1021/jm9900974 BindingDB Entry DOI: 10.7270/Q2J38RRM
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Mus musculus)	BDBM50080526 (1,4,4-Trimethyl-1,2,3,4-tetrahydro-quinoline-6-car...) Show SMILES CCOC(=O)c1ccc(OC(=O)c2ccc3N(C)CCC(C)(C)c3c2)cc1 Show InChI InChI=1S/C22H25NO4/c1-5-26-20(24)15-6-9-17(10-7-15)27-21(25)16-8-11-19-18(14-16)22(2,3)12-13-23(19)4/h6-11,14H,5,12-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR gamma				J Med Chem 42: 3602-14 (1999) Article DOI: 10.1021/jm9900974 BindingDB Entry DOI: 10.7270/Q2J38RRM
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-beta (Mus musculus)	BDBM50080526 (1,4,4-Trimethyl-1,2,3,4-tetrahydro-quinoline-6-car...) Show SMILES CCOC(=O)c1ccc(OC(=O)c2ccc3N(C)CCC(C)(C)c3c2)cc1 Show InChI InChI=1S/C22H25NO4/c1-5-26-20(24)15-6-9-17(10-7-15)27-21(25)16-8-11-19-18(14-16)22(2,3)12-13-23(19)4/h6-11,14H,5,12-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR beta				J Med Chem 42: 3602-14 (1999) Article DOI: 10.1021/jm9900974 BindingDB Entry DOI: 10.7270/Q2J38RRM
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50080526 (1,4,4-Trimethyl-1,2,3,4-tetrahydro-quinoline-6-car...) Show SMILES CCOC(=O)c1ccc(OC(=O)c2ccc3N(C)CCC(C)(C)c3c2)cc1 Show InChI InChI=1S/C22H25NO4/c1-5-26-20(24)15-6-9-17(10-7-15)27-21(25)16-8-11-19-18(14-16)22(2,3)12-13-23(19)4/h6-11,14H,5,12-13H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor alpha				J Med Chem 42: 3602-14 (1999) Article DOI: 10.1021/jm9900974 BindingDB Entry DOI: 10.7270/Q2J38RRM
					More data for this Ligand-Target Pair