BDBM50394706 CHEMBL2165641

SMILES: N=C(NCCCc1cnc[nH]1)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1

InChI Key: InChIKey=UJVLJZYSFWQURQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50394706   

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 H4 receptor (Homo sapiens (Human))	BDBM50394706 (CHEMBL2165641) Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1 Show InChI InChI=1S/C22H36N10O2/c23-21(27-11-5-7-17-13-25-15-29-17)31-19(33)9-3-1-2-4-10-20(34)32-22(24)28-12-6-8-18-14-26-16-30-18/h13-16H,1-12H2,(H,25,29)(H,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	41.7	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H4R-RGS19 Galphai2 Gbeta1gamma2 expressed in Sf9 cells at 0.1 nM to 1 mM 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 (Homo sapiens (Human))	BDBM50394706 (CHEMBL2165641) Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1 Show InChI InChI=1S/C22H36N10O2/c23-21(27-11-5-7-17-13-25-15-29-17)31-19(33)9-3-1-2-4-10-20(34)32-22(24)28-12-6-8-18-14-26-16-30-18/h13-16H,1-12H2,(H,25,29)(H,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	56.2	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))	BDBM50394706 (CHEMBL2165641) Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1 Show InChI InChI=1S/C22H36N10O2/c23-21(27-11-5-7-17-13-25-15-29-17)31-19(33)9-3-1-2-4-10-20(34)32-22(24)28-12-6-8-18-14-26-16-30-18/h13-16H,1-12H2,(H,25,29)(H,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	3.24	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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50394706 (CHEMBL2165641) Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1 Show InChI InChI=1S/C22H36N10O2/c23-21(27-11-5-7-17-13-25-15-29-17)31-19(33)9-3-1-2-4-10-20(34)32-22(24)28-12-6-8-18-14-26-16-30-18/h13-16H,1-12H2,(H,25,29)(H,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	4.17	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H3R-Galphai2-Gbeta1gamma2-RGS4 expressed in Sf9 cells 0.1 nM to 1 mM 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