BDBM50385223 CHEMBL2037187

SMILES: COc1ccccc1-c1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C

InChI Key: InChIKey=YCDTUVXQERDUSC-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 = 50385223   

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))	BDBM50385223 (CHEMBL2037187) Show SMILES COc1ccccc1-c1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r| Show InChI InChI=1S/C28H27N3O2S/c1-17-9-5-7-11-23(17)31-27-25(18(2)30-31)26(34-19(3)28(32)29-27)21-15-13-20(14-16-21)22-10-6-8-12-24(22)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	1.10E+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