BDBM50375556 CHEMBL270105

SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C(C)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key: InChIKey=VUKZWUYSEFVTRB-OSWZUBHSSA-N

Data: 2 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 2 hits for monomerid = 50375556   

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
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50375556 (CHEMBL270105) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C(C)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |w:12.12| Show InChI InChI=1S/C25H42O3/c1-15(5-8-22(27)28)19-6-7-20-23-16(2)13-17-14-18(26)9-11-24(17,3)21(23)10-12-25(19,20)4/h15-21,23,26H,5-14H2,1-4H3,(H,27,28)/t15-,16?,17-,18-,19-,20+,21+,23+,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Agonist activity at human TGR5 expressed in CHO cells by luciferase assay				J Med Chem 51: 1831-41 (2008) Article DOI: 10.1021/jm7015864 BindingDB Entry DOI: 10.7270/Q2222VNJ
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50375556 (CHEMBL270105) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C(C)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |w:12.12| Show InChI InChI=1S/C25H42O3/c1-15(5-8-22(27)28)19-6-7-20-23-16(2)13-17-14-18(26)9-11-24(17,3)21(23)10-12-25(19,20)4/h15-21,23,26H,5-14H2,1-4H3,(H,27,28)/t15-,16?,17-,18-,19-,20+,21+,23+,24+,25-/m1/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	1.62E+4	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Agonist activity at human FXR expressed in COS1 cells by luciferase assay				J Med Chem 51: 1831-41 (2008) Article DOI: 10.1021/jm7015864 BindingDB Entry DOI: 10.7270/Q2222VNJ
					More data for this Ligand-Target Pair