BDBM50240453 (+/-)-2-methylbutanoate::2-methylbutanoate::2-methylbutyrate

SMILES: CCC(C)C([O-])=O

InChI Key: InChIKey=WLAMNBDJUVNPJU-UHFFFAOYSA-M

Data: 2 KI  1 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 2 hits for monomerid = 50240453   

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
Solute carrier family 22 member 20 (Mus musculus)	BDBM50240453 ((+/-)-2-methylbutanoate | 2-methylbutanoate | 2-me...) Show SMILES CCC(C)C([O-])=O Show InChI InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr				J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50240453 ((+/-)-2-methylbutanoate | 2-methylbutanoate | 2-me...) Show SMILES CCC(C)C([O-])=O Show InChI InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	9.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr				J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50240453

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	BDBM50240453	CHEBI MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-1.87	1.12	-2.99	1.37	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)