BDBM50236230 2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic acid::CHEMBL272427::ursodeoxy cholic acid

SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

InChI Key: InChIKey=BHTRKEVKTKCXOH-UHFFFAOYSA-N

Data: 1 KI  3 IC50  1 Kd  3 EC50

PDB links: 2 PDB IDs match this monomer.

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 8 hits for monomerid = 50236230   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
G-protein coupled bile acid receptor 1 (Human)	BDBM50236230 (ursodeoxy cholic acid | 2-((R)-4-((3R,5S,7S,8R,9S,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.05E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Human)	BDBM50236230 (ursodeoxy cholic acid | 2-((R)-4-((3R,5S,7S,8R,9S,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Autotaxin (Human)	BDBM50236230 (ursodeoxy cholic acid | 2-((R)-4-((3R,5S,7S,8R,9S,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM50236230 (ursodeoxy cholic acid | 2-((R)-4-((3R,5S,7S,8R,9S,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Autotaxin (Human)	BDBM50236230 (ursodeoxy cholic acid | 2-((R)-4-((3R,5S,7S,8R,9S,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phospholipase A2 (Human)	BDBM50236230 (ursodeoxy cholic acid | 2-((R)-4-((3R,5S,7S,8R,9S,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Human)	BDBM50236230 (ursodeoxy cholic acid | 2-((R)-4-((3R,5S,7S,8R,9S,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Human)	BDBM50236230 (ursodeoxy cholic acid | 2-((R)-4-((3R,5S,7S,8R,9S,...) Show SMILES Show InChI	GoogleScholar	UniChem		2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair