BDBM7 2-methylcyclohexan-1-one::2-methylcyclohexanone

SMILES: CC1CCCCC1=O

InChI Key: InChIKey=LFSAPCRASZRSKS-UHFFFAOYSA-N

Data: 4 KI  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 = 7   

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
Carbonic anhydrase 2 (Human)	BDBM7 (2-methylcyclohexan-1-one | 2-methylcyclohexanone) Show SMILES Show InChI	GoogleScholar	UniChem		420	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)	BDBM7 (2-methylcyclohexan-1-one | 2-methylcyclohexanone) Show SMILES Show InChI	GoogleScholar	UniChem		8.61E+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 4 (Human)	BDBM7 (2-methylcyclohexan-1-one | 2-methylcyclohexanone) Show SMILES Show InChI	GoogleScholar	UniChem		8.93E+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 6 (Human)	BDBM7 (2-methylcyclohexan-1-one | 2-methylcyclohexanone) Show SMILES Show InChI	GoogleScholar	UniChem		4.27E+5	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

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 7

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM4	BDBM7				-2.01	0.142	-2.13	1.48	6.90	25
TBA					Details of this binding reaction
BDBM11	BDBM7				-3.75	-0.498	-3.27	2.74	6.90	25
TBA					Details of this binding reaction