BDBM50031459 (2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid::(7E,9E,11E,13Z)-retinoic acid::13-RA::13-cis-Vitamin A acid::13-cis-retinoic acid::CHEMBL547::Neovitamin A acid::isotretinoin

SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O

InChI Key: InChIKey=SHGAZHPCJJPHSC-UHFFFAOYSA-N

Data: 13 IC50  2 Kd

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 15 hits for monomerid = 50031459   

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
ATP-binding cassette sub-family C member 4 (Human)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 2 (Human)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 3 (Human)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Bile salt export pump (Human)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Retinoic acid receptor alpha (Mouse)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Retinoic acid receptor RXR-alpha (Mouse)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) 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
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Retinoic acid receptor RXR-gamma (Mouse)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) 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
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Cellular retinoic acid-binding protein 1 (Chicken)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
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Retinoic acid receptor RXR-beta (Mouse)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) 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
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Cellular retinoic acid-binding protein 2 (Mouse)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Retinoic acid receptor beta (Mouse)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Retinoic acid receptor gamma (Mouse)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cellular retinoic acid-binding protein 1 (Mouse)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cellular retinoic acid-binding protein 1 (Chicken)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50031459 ((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair