BDBM50394709 CHEMBL2165645

SMILES: Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1

InChI Key: InChIKey=HYXYTRGSUZNOIN-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 = 50394709   

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))	BDBM50394709 (CHEMBL2165645) Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1 |w:10.10,29.30| Show InChI InChI=1S/C25H42N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-2-4-6-12-20(36)34-22(26)30-14-8-10-18-16-32-24(28)38-18/h16H,2-15H2,1H3,(H2,28,32)(H2,29,33)(H3,26,30,34,36)(H3,27,31,35,37)	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	13.8	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))	BDBM50394709 (CHEMBL2165645) Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1 |w:10.10,29.30| Show InChI InChI=1S/C25H42N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-2-4-6-12-20(36)34-22(26)30-14-8-10-18-16-32-24(28)38-18/h16H,2-15H2,1H3,(H2,28,32)(H2,29,33)(H3,26,30,34,36)(H3,27,31,35,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.47	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