BDBM50404041 CHEMBL45725

SMILES: [O-][N+](=O)c1ccc(NCCCCCC(=O)NCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12

InChI Key: InChIKey=DYOBAJIFJYRYQG-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50404041   

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))	BDBM50404041 (CHEMBL45725) Show SMILES [O-][N+](=O)c1ccc(NCCCCCC(=O)NCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12 |w:38.40| Show InChI InChI=1S/C31H42N10O5/c32-23-37-31(35-15-8-20-45-25-10-7-9-24(21-25)22-40-18-5-2-6-19-40)36-17-16-34-28(42)11-3-1-4-14-33-26-12-13-27(41(43)44)30-29(26)38-46-39-30/h7,9-10,12-13,21,33H,1-6,8,11,14-20,22H2,(H3,34,35,36,37,42)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	25.7	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