BDBM50518052 CHEMBL551790

SMILES: Clc1cccc(CNC(=N)SCCCc2c[nH]cn2)c1

InChI Key: InChIKey=ZGFGKYPXTGSMPZ-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50518052   

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 receptor (H3 and H4) (Homo sapiens (Human))	BDBM50518052 (CHEMBL551790) Show SMILES Clc1cccc(CNC(=N)SCCCc2c[nH]cn2)c1 Show InChI InChI=1S/C14H17ClN4S/c15-12-4-1-3-11(7-12)8-18-14(16)20-6-2-5-13-9-17-10-19-13/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,18)(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	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
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50518052 (CHEMBL551790) Show SMILES Clc1cccc(CNC(=N)SCCCc2c[nH]cn2)c1 Show InChI InChI=1S/C14H17ClN4S/c15-12-4-1-3-11(7-12)8-18-14(16)20-6-2-5-13-9-17-10-19-13/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,18)(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.30	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