BDBM50404038 CHEMBL47917

SMILES: O=C(NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N)c1c2ccccc2nc2ccccc12

InChI Key: InChIKey=XCPYYRGRBRZJBY-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 = 50404038   

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))	BDBM50404038 (CHEMBL47917) Show SMILES O=C(NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N)c1c2ccccc2nc2ccccc12 |w:25.27| Show InChI InChI=1S/C33H37N7O2/c34-24-38-33(36-16-9-21-42-26-11-8-10-25(22-26)23-40-19-6-1-7-20-40)37-18-17-35-32(41)31-27-12-2-4-14-29(27)39-30-15-5-3-13-28(30)31/h2-5,8,10-15,22H,1,6-7,9,16-21,23H2,(H,35,41)(H2,36,37,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	182	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