BDBM50196841 CHEMBL3925415

SMILES: CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3cc(Cl)cc(Cl)c23)N2CCNCC2)cc1

InChI Key: InChIKey=OADSYGZOQFVGHX-AZUAARDMSA-N

Data: 1 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 1 hit for monomerid = 50196841   

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
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196841 (CHEMBL3925415) Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3cc(Cl)cc(Cl)c23)N2CCNCC2)cc1 |r| Show InChI InChI=1S/C20H22Cl2N2O3S/c1-28(25,26)16-4-2-15(3-5-16)27-20-18(24-8-6-23-7-9-24)11-13-10-14(21)12-17(22)19(13)20/h2-5,10,12,18,20,23H,6-9,11H2,1H3/t18-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair