BDBM50447840 BMS-204493::CHEMBL472172

SMILES: CC1(C)CC=C(C#Cc2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12

InChI Key: InChIKey=YCADIXLLWMXYKW-CMDGGOBGSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50447840   

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
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50447840 (BMS-204493 | CHEMBL472172) Show SMILES CC1(C)CC=C(C#Cc2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12 |t:4| Show InChI InChI=1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Vigo Curated by ChEMBL					Assay Description Inverse agonist activity at RARalpha (unknown origin)				Bioorg Med Chem 22: 1285-302 (2014) Article DOI: 10.1016/j.bmc.2014.01.006 BindingDB Entry DOI: 10.7270/Q26W9CK1
					More data for this Ligand-Target Pair				3D Structure (crystal)