BDBM50149293 CHEMBL3770675

SMILES: CC(C)Oc1ncccc1CCC(O)(CC(O)=O)C(O)=O

InChI Key: InChIKey=QITGYTBNNYFNAP-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 = 50149293   

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 13 member 5 (Homo sapiens (Human))	BDBM50149293 (CHEMBL3770675) Show SMILES CC(C)Oc1ncccc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C14H19NO6/c1-9(2)21-12-10(4-3-7-15-12)5-6-14(20,13(18)19)8-11(16)17/h3-4,7,9,20H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair
Solute carrier family 13 member 5 (Homo sapiens (Human))	BDBM50149293 (CHEMBL3770675) Show SMILES CC(C)Oc1ncccc1CCC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C14H19NO6/c1-9(2)21-12-10(4-3-7-15-12)5-6-14(20,13(18)19)8-11(16)17/h3-4,7,9,20H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis				J Med Chem 59: 1165-75 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NRC
					More data for this Ligand-Target Pair