BDBM50353111 CHEMBL1829123

SMILES: COc1ccc(CN2CCN(CCOc3ccc(cc3NS(=O)(=O)c3ccc(C)cc3)C(=O)NC(N)=N)CC2)c(OC)c1OC

InChI Key: InChIKey=ZWWMKZCRQWIVFE-UHFFFAOYSA-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 = 50353111   

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 1 (Rattus norvegicus)	BDBM50353111 (CHEMBL1829123) Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NS(=O)(=O)c3ccc(C)cc3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C31H40N6O7S/c1-21-5-9-24(10-6-21)45(39,40)35-25-19-22(30(38)34-31(32)33)7-11-26(25)44-18-17-36-13-15-37(16-14-36)20-23-8-12-27(41-2)29(43-4)28(23)42-3/h5-12,19,35H,13-18,20H2,1-4H3,(H4,32,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair