BDBM50404032 ROXATIDINE ACETATE

SMILES: CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1

InChI Key: InChIKey=SMTZFNFIKUPEJC-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50404032   

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
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50404032 (ROXATIDINE ACETATE) Show SMILES CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 Show InChI InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	38.9	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium				Bioorg Med Chem Lett 13: 1717-20 (2003) BindingDB Entry DOI: 10.7270/Q2XW4M0X
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50404032 (ROXATIDINE ACETATE) Show SMILES CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 Show InChI InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem		n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Histamine H2 receptor antagonistic activity				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP773S
					More data for this Ligand-Target Pair