BDBM50385217 CHEMBL2037305

SMILES: C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1ccco1

InChI Key: InChIKey=VVLPWLMXSGZKEJ-GAJHUEQPSA-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 = 50385217   

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))	BDBM50385217 (CHEMBL2037305) Show SMILES C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1ccco1 |r| Show InChI InChI=1S/C25H23N3O2S/c1-15-7-4-5-8-20(15)28-24-22(16(2)27-28)23(31-17(3)25(29)26-24)19-12-10-18(11-13-19)21-9-6-14-30-21/h4-14,17,23H,1-3H3,(H,26,29)/t17-,23+/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	3.60E+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