BDBM50419455 CHEMBL1923033

SMILES: N#Cc1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1

InChI Key: InChIKey=JHLZBMJYTQZERX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50419455   

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))	BDBM50419455 (CHEMBL1923033) Show SMILES N#Cc1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:18.19| Show InChI InChI=1S/C21H27N5S/c22-13-17-8-10-18(11-9-17)14-24-21(26-19-5-2-1-3-6-19)27-12-4-7-20-15-23-16-25-20/h8-11,15-16,19H,1-7,12,14H2,(H,23,25)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62	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 H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting				J Med Chem 54: 8136-47 (2011) Article DOI: 10.1021/jm201042n BindingDB Entry DOI: 10.7270/Q2MW2JDX
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50419455 (CHEMBL1923033) Show SMILES N#Cc1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:18.19| Show InChI InChI=1S/C21H27N5S/c22-13-17-8-10-18(11-9-17)14-24-21(26-19-5-2-1-3-6-19)27-12-4-7-20-15-23-16-25-20/h8-11,15-16,19H,1-7,12,14H2,(H,23,25)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	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 H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting				J Med Chem 54: 8136-47 (2011) Article DOI: 10.1021/jm201042n BindingDB Entry DOI: 10.7270/Q2MW2JDX
					More data for this Ligand-Target Pair