BDBM50387454 CHEMBL2047474

SMILES: CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc([N+]([O-])=O)c2[nH]1

InChI Key: InChIKey=FKACYPTZQOXPJW-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50387454   

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))	BDBM50387454 (CHEMBL2047474) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc([N+]([O-])=O)c2[nH]1 Show InChI InChI=1S/C14H15ClN4O3/c1-17-2-4-18(5-3-17)14(20)11-7-9-6-10(15)8-12(19(21)22)13(9)16-11/h6-8,16H,2-5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells				Eur J Med Chem 54: 660-8 (2012) Article DOI: 10.1016/j.ejmech.2012.06.016 BindingDB Entry DOI: 10.7270/Q2251K7H
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50387454 (CHEMBL2047474) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc([N+]([O-])=O)c2[nH]1 Show InChI InChI=1S/C14H15ClN4O3/c1-17-2-4-18(5-3-17)14(20)11-7-9-6-10(15)8-12(19(21)22)13(9)16-11/h6-8,16H,2-5H2,1H3	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	398	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at histamine H4 receptor (unknown origin) expressed in HEK293T cells harboring CRE-luciferase after 6 hrs by luciferase reporter gen...				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50387454 (CHEMBL2047474) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc([N+]([O-])=O)c2[nH]1 Show InChI InChI=1S/C14H15ClN4O3/c1-17-2-4-18(5-3-17)14(20)11-7-9-6-10(15)8-12(19(21)22)13(9)16-11/h6-8,16H,2-5H2,1H3	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
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at histamine H4 receptor (unknown origin) expressed in human U2OS cells increase in beta-arrestin2 recruitment after 2 hrs by lumine...				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435
					More data for this Ligand-Target Pair