BDBM50419046 CHEMBL260565

SMILES: CN1CCN(CC1)c1ccc2cc(Cl)ccc2n1

InChI Key: InChIKey=PKWXICSBZZLGCF-UHFFFAOYSA-N

Data: 3 KI

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 = 50419046   

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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50419046 (CHEMBL260565) Show SMILES CN1CCN(CC1)c1ccc2cc(Cl)ccc2n1 Show InChI InChI=1S/C14H16ClN3/c1-17-6-8-18(9-7-17)14-5-2-11-10-12(15)3-4-13(11)16-14/h2-5,10H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting				Bioorg Med Chem Lett 21: 5460-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.123 BindingDB Entry DOI: 10.7270/Q2ZC844K
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50419046 (CHEMBL260565) Show SMILES CN1CCN(CC1)c1ccc2cc(Cl)ccc2n1 Show InChI InChI=1S/C14H16ClN3/c1-17-6-8-18(9-7-17)14-5-2-11-10-12(15)3-4-13(11)16-14/h2-5,10H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	589	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]histamine from human histamine H4 receptor expressed in HEK293T cells				J Med Chem 51: 2457-67 (2008) Article DOI: 10.1021/jm7014217 BindingDB Entry DOI: 10.7270/Q22V2JWW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50419046 (CHEMBL260565) Show SMILES CN1CCN(CC1)c1ccc2cc(Cl)ccc2n1 Show InChI InChI=1S/C14H16ClN3/c1-17-6-8-18(9-7-17)14-5-2-11-10-12(15)3-4-13(11)16-14/h2-5,10H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells at 10 uM after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem Lett 21: 5460-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.123 BindingDB Entry DOI: 10.7270/Q2ZC844K
					More data for this Ligand-Target Pair