BDBM21674 (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid::CDCA::CHENODIOL::Chenodeoxycholic Acid::US10208081, CDCA

SMILES: C[C@H](CCC(=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=RUDATBOHQWOJDD-UHFFFAOYSA-N

Data: 3 IC50  44 EC50

PDB links: 7 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 49 hits for monomerid = 21674   

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)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.66E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) 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
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.66E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.30E+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)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.71E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.30E+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)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.66E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.80E+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)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.06E+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)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	9.00E+3	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)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+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)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.71E+3	n/a	n/a	7.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	7.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.70E+4	n/a	n/a	7.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.30E+3	n/a	n/a	7.0	4
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.66E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.66E+3	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)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.00E+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)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Beta-galactoside alpha-2,6-sialyltransferase 1 (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sialyltransferase ST3Gal-I (Rat)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+5	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)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.10E+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)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) 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
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Mouse)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.66E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM21674 (Chenodeoxycholic Acid | CDCA | (4R)-4-[(1S,2S,5R,7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair