BDBM238310 2-((dimethylamino)methyl)-4,5-dimethylphenol (2a)

SMILES: CN(C)Cc1cc(C)c(C)cc1O

InChI Key: InChIKey=KLYOVBGFQCEVQZ-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 238310   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM238310 (2-((dimethylamino)methyl)-4,5-dimethylphenol (2a)) Show SMILES CN(C)Cc1cc(C)c(C)cc1O Show InChI InChI=1S/C11H17NO/c1-8-5-10(7-12(3)4)11(13)6-9(8)2/h5-6,13H,7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...				J Enzyme Inhib Med Chem 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM238310 (2-((dimethylamino)methyl)-4,5-dimethylphenol (2a)) Show SMILES CN(C)Cc1cc(C)c(C)cc1O Show InChI InChI=1S/C11H17NO/c1-8-5-10(7-12(3)4)11(13)6-9(8)2/h5-6,13H,7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+5	n/a	n/a	n/a	n/a	7.4	25
Dumlupinar University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair