BDBM50196818 CHEMBL3905100

SMILES: CN(C)CCCN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=HORSHPOZVNOOHQ-VXKWHMMOSA-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 = 50196818   

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))	BDBM50196818 (CHEMBL3905100) Show SMILES CN(C)CCCN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28Cl2N2O3S/c1-25(2)10-5-11-26(3)21-14-18-19(12-15(23)13-20(18)24)22(21)29-16-6-8-17(9-7-16)30(4,27)28/h6-9,12-13,21-22H,5,10-11,14H2,1-4H3/t21-,22-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	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