BDBM50343998 (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-1-ium-2-carboxylate::CHEMBL1779953::CHEMBL1779954

SMILES: CC1(O)C(O)C(C)(N[c+]2n1ccc1ccccc21)C([O-])=O

InChI Key: InChIKey=LNMASGINKJPCND-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 = 50343998   

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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50343998 ((2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3,4-dihydro-...) Show SMILES CC1(O)C(O)C(C)(N[c+]2n1ccc1ccccc21)C([O-])=O Show InChI InChI=1S/C15H16N2O4/c1-14(13(19)20)12(18)15(2,21)17-8-7-9-5-3-4-6-10(9)11(17)16-14/h3-8,12,18,21H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University Joseph Fourier-Grenoble 1/CNRS Curated by ChEMBL					Assay Description Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assay				Eur J Med Chem 46: 1935-41 (2011) Article DOI: 10.1016/j.ejmech.2011.02.037 BindingDB Entry DOI: 10.7270/Q23R0T6R
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50343998 ((2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3,4-dihydro-...) Show SMILES CC1(O)C(O)C(C)(N[c+]2n1ccc1ccccc21)C([O-])=O Show InChI InChI=1S/C15H16N2O4/c1-14(13(19)20)12(18)15(2,21)17-8-7-9-5-3-4-6-10(9)11(17)16-14/h3-8,12,18,21H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University Joseph Fourier-Grenoble 1/CNRS Curated by ChEMBL					Assay Description Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assay				Eur J Med Chem 46: 1935-41 (2011) Article DOI: 10.1016/j.ejmech.2011.02.037 BindingDB Entry DOI: 10.7270/Q23R0T6R
					More data for this Ligand-Target Pair