BDBM50394705 CHEMBL2165643

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

InChI Key: InChIKey=HBDHANBWOOALDQ-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 = 50394705   

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))	BDBM50394705 (CHEMBL2165643) Show SMILES NC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:33.34| Show InChI InChI=1S/C30H52N10O2/c31-29(35-19-13-15-25-21-33-23-37-25)39-27(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-28(42)40-30(32)36-20-14-16-26-22-34-24-38-26/h21-24H,1-20H2,(H,33,37)(H,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	339	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))	BDBM50394705 (CHEMBL2165643) Show SMILES NC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:33.34| Show InChI InChI=1S/C30H52N10O2/c31-29(35-19-13-15-25-21-33-23-37-25)39-27(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-28(42)40-30(32)36-20-14-16-26-22-34-24-38-26/h21-24H,1-20H2,(H,33,37)(H,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	24.6	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))	BDBM50394705 (CHEMBL2165643) Show SMILES NC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:33.34| Show InChI InChI=1S/C30H52N10O2/c31-29(35-19-13-15-25-21-33-23-37-25)39-27(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-28(42)40-30(32)36-20-14-16-26-22-34-24-38-26/h21-24H,1-20H2,(H,33,37)(H,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	19.9	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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50394705 (CHEMBL2165643) Show SMILES NC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:33.34| Show InChI InChI=1S/C30H52N10O2/c31-29(35-19-13-15-25-21-33-23-37-25)39-27(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-28(42)40-30(32)36-20-14-16-26-22-34-24-38-26/h21-24H,1-20H2,(H,33,37)(H,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	>1.00E+3	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