BDBM16433 CHEMBL14184::Caproic acid::Hexanoic acid::n-Caproic acid

SMILES: CCCCCC(=O)O

InChI Key: InChIKey=FUZZWVXGSFPDMH-UHFFFAOYSA-N

Data: 3 KI  1 IC50

PDB links: 32 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 4 hits for monomerid = 16433   

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
Aldo-keto reductase family 1 member B1 (Human)	BDBM16433 (CHEMBL14184 | Caproic acid | n-Caproic acid | Hexa...) 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
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Solute carrier family 22 member 20 (Mouse)	BDBM16433 (CHEMBL14184 | Caproic acid | n-Caproic acid | Hexa...) Show SMILES Show InChI	GoogleScholar	UniChem		9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mouse)	BDBM16433 (CHEMBL14184 | Caproic acid | n-Caproic acid | Hexa...) Show SMILES Show InChI	GoogleScholar	UniChem		3.72E+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
Aldo-keto reductase family 1 member B1 (Human)	BDBM16433 (CHEMBL14184 | Caproic acid | n-Caproic acid | Hexa...) Show SMILES Show InChI	GoogleScholar	UniChem		6.86E+4	-5.68	n/a	n/a	n/a	n/a	n/a	7.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair