BDBM50340078 CHEMBL1762660::SAMPL5, OA-G2::sodium 4-cyanobenzoate

SMILES: [O-]C(=O)c1ccc(cc1)C#N

InChI Key: InChIKey=ADCUEPOHPCPMCE-UHFFFAOYSA-M

Data: 2 KI  2 Kd  2 ITC

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 = 50340078   

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
BDBM197287 (SAMPL4, OA) Show SMILES Show InChI	BDBM50340078 (sodium 4-cyanobenzoate | CHEMBL1762660 | SAMPL5, O...) Show SMILES Show InChI	UniChem	UniChem		n/a	n/a	n/a	7.63E+5	n/a	n/a	n/a	11.5	4.85
									Citation and Details
TBA					More data for this Ligand-Target Pair
BDBM197309 (SAMPL5, OAMe | SAMPL5, TEMOA) Show SMILES Show InChI	BDBM50340078 (sodium 4-cyanobenzoate | CHEMBL1762660 | SAMPL5, O...) Show SMILES Show InChI	UniChem	UniChem		n/a	n/a	n/a	2.02E+5	n/a	n/a	n/a	11.5	4.85
									Citation and Details
TBA					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Human)	BDBM50340078 (sodium 4-cyanobenzoate | CHEMBL1762660 | SAMPL5, O...) Show SMILES Show InChI	GoogleScholar	UniChem		6.79E+3	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
Carbonic anhydrase 1 (Human)	BDBM50340078 (sodium 4-cyanobenzoate | CHEMBL1762660 | SAMPL5, O...) Show SMILES Show InChI	GoogleScholar	UniChem		6.92E+3	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