BDBM50394713 CHEMBL2165636

SMILES: NC(NC(=O)CCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1

InChI Key: InChIKey=RKSXQJRAAANUNM-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 = 50394713   

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))	BDBM50394713 (CHEMBL2165636) Show SMILES NC(NC(=O)CCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:26.27,16.16| Show InChI InChI=1S/C22H36N10O2S2/c23-19(27-11-5-7-15-13-29-21(25)35-15)31-17(33)9-3-1-2-4-10-18(34)32-20(24)28-12-6-8-16-14-30-22(26)36-16/h13-14H,1-12H2,(H2,25,29)(H2,26,30)(H3,23,27,31,33)(H3,24,28,32,34)	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	30.9	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))	BDBM50394713 (CHEMBL2165636) Show SMILES NC(NC(=O)CCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:26.27,16.16| Show InChI InChI=1S/C22H36N10O2S2/c23-19(27-11-5-7-15-13-29-21(25)35-15)31-17(33)9-3-1-2-4-10-18(34)32-20(24)28-12-6-8-16-14-30-22(26)36-16/h13-14H,1-12H2,(H2,25,29)(H2,26,30)(H3,23,27,31,33)(H3,24,28,32,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.35	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