BDBM50394712 CHEMBL2165637

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

InChI Key: InChIKey=MLVBVDKCQYPOBL-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 = 50394712   

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))	BDBM50394712 (CHEMBL2165637) Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:28.29| Show InChI InChI=1S/C24H40N10O2S2/c25-21(29-13-7-9-17-15-31-23(27)37-17)33-19(35)11-5-3-1-2-4-6-12-20(36)34-22(26)30-14-8-10-18-16-32-24(28)38-18/h15-16H,1-14H2,(H2,27,31)(H2,28,32)(H3,25,29,33,35)(H3,26,30,34,36)	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	21.4	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))	BDBM50394712 (CHEMBL2165637) Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:28.29| Show InChI InChI=1S/C24H40N10O2S2/c25-21(29-13-7-9-17-15-31-23(27)37-17)33-19(35)11-5-3-1-2-4-6-12-20(36)34-22(26)30-14-8-10-18-16-32-24(28)38-18/h15-16H,1-14H2,(H2,27,31)(H2,28,32)(H3,25,29,33,35)(H3,26,30,34,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.01	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