BDBM36135 4-toluic acid::4-tolylic acid

SMILES: Cc1ccc(cc1)C([O-])=O

InChI Key: InChIKey=LPNBBFKOUUSUDB-UHFFFAOYSA-M

Data: 1 IC50  6 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 1 hit for monomerid = 36135   

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
Thiopurine S-methyltransferase (Homo sapiens (Human))	BDBM36135 (4-toluic acid | 4-tolylic acid) Show SMILES Cc1ccc(cc1)C([O-])=O Show InChI InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of purified human kidney thiopurine methyltransferase (TPMT)				J Med Chem 29: 354-8 (1986) BindingDB Entry DOI: 10.7270/Q2445NPZ
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 36135

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
BDBM36127	BDBM36135	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid		-3.36	-0.933	-2.44	2.46	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 813-26 (2002)
BDBM36127	BDBM36135	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid		-3.35	-0.883	-2.46	2.45	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM36127	BDBM36135	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid		-3.45	-1.00	-2.44	2.53	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36135	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.70	-0.620	-2.08	1.98	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36135	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.78	-0.577	-2.20	2.04	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36135	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.70	-0.598	-2.10	1.98	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 813-26 (2002)