Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Ligand = 'BDBM50097824'   

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 alpha (Homo sapiens (Human))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand				Bioorg Med Chem Lett 11: 765-8 (2001) BindingDB Entry DOI: 10.7270/Q2348JN3
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	435	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gamma				Bioorg Med Chem Lett 11: 765-8 (2001) BindingDB Entry DOI: 10.7270/Q2348JN3
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	598	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Transcriptional activation of retinoic acid receptor RAR alpha				Bioorg Med Chem Lett 5: 523-527 (1995) Article DOI: 10.1016/0960-894X(95)00065-2 BindingDB Entry DOI: 10.7270/Q20G3K4D
					More data for this Ligand-Target Pair