BDBM50419456 CHEMBL1923034

SMILES: [O-][N+](=O)c1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1

InChI Key: InChIKey=KTSPNBFUARCTGI-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 = 50419456   

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))	BDBM50419456 (CHEMBL1923034) Show SMILES [O-][N+](=O)c1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:19.20| Show InChI InChI=1S/C20H27N5O2S/c26-25(27)19-10-8-16(9-11-19)13-22-20(24-17-5-2-1-3-6-17)28-12-4-7-18-14-21-15-23-18/h8-11,14-15,17H,1-7,12-13H2,(H,21,23)(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.15	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))	BDBM50419456 (CHEMBL1923034) Show SMILES [O-][N+](=O)c1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:19.20| Show InChI InChI=1S/C20H27N5O2S/c26-25(27)19-10-8-16(9-11-19)13-22-20(24-17-5-2-1-3-6-17)28-12-4-7-18-14-21-15-23-18/h8-11,14-15,17H,1-7,12-13H2,(H,21,23)(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	135	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