BDBM50514091 CHEMBL4560428

SMILES: OC(=O)\C=C\C(O)=O.CCCCNC1CN(C1)c1ccnc(N)n1

InChI Key: InChIKey=RIADRHAEWOJFOQ-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50514091   

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 H3 receptor (Homo sapiens (Human))	BDBM50514091 (CHEMBL4560428) Show SMILES OC(=O)\C=C\C(O)=O.CCCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C11H19N5/c1-2-3-5-13-9-7-16(8-9)10-4-6-14-11(12)15-10/h4,6,9,13H,2-3,5,7-8H2,1H3,(H2,12,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514091 (CHEMBL4560428) Show SMILES OC(=O)\C=C\C(O)=O.CCCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C11H19N5/c1-2-3-5-13-9-7-16(8-9)10-4-6-14-11(12)15-10/h4,6,9,13H,2-3,5,7-8H2,1H3,(H2,12,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.794	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462
					More data for this Ligand-Target Pair