BDBM50385212 CHEMBL2037315

SMILES: COc1cccc(Oc2ccc(cc2)[C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)c1

InChI Key: InChIKey=DPHBOASTBNIHOE-AFMDSPMNSA-N

Data: 1 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 1 hit for monomerid = 50385212   

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
Bile acid receptor (Homo sapiens (Human))	BDBM50385212 (CHEMBL2037315) Show SMILES COc1cccc(Oc2ccc(cc2)[C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)c1 |r| Show InChI InChI=1S/C28H27N3O3S/c1-17-8-5-6-11-24(17)31-27-25(18(2)30-31)26(35-19(3)28(32)29-27)20-12-14-21(15-13-20)34-23-10-7-9-22(16-23)33-4/h5-16,19,26H,1-4H3,(H,29,32)/t19-,26+/m0/s1	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	1.70E+3	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Agonist activity at human GST-tagged FXR ligand binding domain assessed as recruitment of Src-1 peptide after 30 mins by AlphaScreen assay				Bioorg Med Chem 20: 3429-45 (2012) Article DOI: 10.1016/j.bmc.2012.04.021 BindingDB Entry DOI: 10.7270/Q2GX4CMD
					More data for this Ligand-Target Pair