BDBM21675 (4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethyl-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid::6-ECDCA::6-ethyl chenodeoxycholic acid::6-ethyl-3,7-dihydroxycholan-24-oic acid::6ECDCA::6alpha-Ethyl-Chenodeoxycholic Acid::INT-747::INT747::Ocaliva::US10208081, E6-ECDCA::US10266560, Example 6-ECDCA::US11208418, Example Obeticholic::obeticholic acid

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

InChI Key InChIKey=ZXERDUOLZKYMJM-ZWECCWDJSA-N

Data  40 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21675   

TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM21675((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...)
Affinity DataEC50:  100nMAssay Description:Agonist activity at wild type TGR5 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed