BDBM50394711 CHEMBL2165638

SMILES: Nc1ncc(CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc2cnc(N)s2)s1

InChI Key: InChIKey=ZALMMYYKSMXEKE-UHFFFAOYSA-N

Data: 2 EC50

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 = 50394711   

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 (Homo sapiens (Human))	BDBM50394711 (CHEMBL2165638) Show SMILES Nc1ncc(CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc2cnc(N)s2)s1 Show InChI InChI=1S/C30H52N10O2S2/c31-27(35-19-13-15-23-21-37-29(33)43-23)39-25(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-26(42)40-28(32)36-20-14-16-24-22-38-30(34)44-24/h21-22H,1-20H2,(H2,33,37)(H2,34,38)(H3,31,35,39,41)(H3,32,36,40,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	93.3	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay				J Med Chem 55: 1147-60 (2012) Article DOI: 10.1021/jm201128q BindingDB Entry DOI: 10.7270/Q2HQ411W
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50394711 (CHEMBL2165638) Show SMILES Nc1ncc(CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc2cnc(N)s2)s1 Show InChI InChI=1S/C30H52N10O2S2/c31-27(35-19-13-15-23-21-37-29(33)43-23)39-25(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-26(42)40-28(32)36-20-14-16-24-22-38-30(34)44-24/h21-22H,1-20H2,(H2,33,37)(H2,34,38)(H3,31,35,39,41)(H3,32,36,40,42)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	58.9	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at guinea pig H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay				J Med Chem 55: 1147-60 (2012) Article DOI: 10.1021/jm201128q BindingDB Entry DOI: 10.7270/Q2HQ411W
					More data for this Ligand-Target Pair