BDBM50445060 CHEMBL3098773

SMILES: C[C@@H]1CC\C(=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c2ccccc12

InChI Key: InChIKey=IUAWGSHMQSZQSY-ARGJGUSHSA-N

Data: 1 Kd  3 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50445060   

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
NR2B Channel Blocker (RAT)	BDBM50445060 (CHEMBL3098773) Show SMILES C[C@@H]1CC\C(=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C21H24O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-10,13-14,17H,11-12H2,1-3H3,(H,22,23)/b8-6+,15-7-,16-14+,18-13+/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Agonist activity at RXR-alpha in rat R3KE cells infected with oncogene KLF4-ER assessed as inhibition of KLF4-mediated oncogenic transformation				J Med Chem 57: 5370-80 (2014) Article DOI: 10.1021/jm5004792 BindingDB Entry DOI: 10.7270/Q2183821
					More data for this Ligand-Target Pair
NR2B Channel Blocker (RAT)	BDBM50445060 (CHEMBL3098773) Show SMILES C[C@@H]1CC\C(=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C21H24O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-10,13-14,17H,11-12H2,1-3H3,(H,22,23)/b8-6+,15-7-,16-14+,18-13+/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Agonist activity at RXRalpha in rat RK3E cells assessed as transcriptional activation by luciferase reporter gene assay				Bioorg Med Chem 22: 178-85 (2013) Article DOI: 10.1016/j.bmc.2013.11.039 BindingDB Entry DOI: 10.7270/Q2MW2JMM
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50445060 (CHEMBL3098773) Show SMILES C[C@@H]1CC\C(=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C21H24O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-10,13-14,17H,11-12H2,1-3H3,(H,22,23)/b8-6+,15-7-,16-14+,18-13+/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Agonist activity at Gal4-fused human RXR-alpha expressed in HEK293 cells assessed as receptor-mediated transcriptional activity treated 24 hrs after ...				J Med Chem 57: 5370-80 (2014) Article DOI: 10.1021/jm5004792 BindingDB Entry DOI: 10.7270/Q2183821
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50445060 (CHEMBL3098773) Show SMILES C[C@@H]1CC\C(=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C21H24O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-10,13-14,17H,11-12H2,1-3H3,(H,22,23)/b8-6+,15-7-,16-14+,18-13+/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Binding affinity to human RXR-alpha-ligand binding domain homodimers by fluorescence quenching method				J Med Chem 57: 5370-80 (2014) Article DOI: 10.1021/jm5004792 BindingDB Entry DOI: 10.7270/Q2183821
					More data for this Ligand-Target Pair