BDBM50404033 CHEMBL46043

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

InChI Key: InChIKey=RIFCODRRAGGNGF-UHFFFAOYSA-O

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 = 50404033   

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))	BDBM50404033 (CHEMBL46043) Show SMILES [O-][N+](=O)c1ccc(NCCCCCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12 |w:34.36| Show InChI InChI=1S/C29H38N9O4/c30-22-34-29(33-16-9-19-41-24-11-8-10-23(20-24)21-37-17-6-3-7-18-37)32-15-5-2-1-4-14-31-25-12-13-26(38(39)40)28-27(25)35-42-36-28/h8,10-13,20,31H,1-7,9,14-19,21H2,(H-,32,33,34)/q-1/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	32.4	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