BDBM50270780 CHEMBL4125903

SMILES: Cl.NC(=N)Nc1nc2CCCCc2s1

InChI Key: InChIKey=CKBIOORETGHJLB-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50270780   

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
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50270780 (CHEMBL4125903) Show SMILES Cl.NC(=N)Nc1nc2CCCCc2s1 Show InChI InChI=1S/C8H12N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H2,(H4,9,10,11,12)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain prefrontal cortex membranes after 30 mins by microbeta liquid scintillati...				Eur J Med Chem 138: 38-50 (2017) Article DOI: 10.1016/j.ejmech.2017.06.008 BindingDB Entry DOI: 10.7270/Q2BV7K3C
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50270780 (CHEMBL4125903) Show SMILES Cl.NC(=N)Nc1nc2CCCCc2s1 Show InChI InChI=1S/C8H12N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H2,(H4,9,10,11,12)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Activity at alpha2 adrenergic receptor in human brain prefrontal cortex membranes assessed as effect on UK14304-induced [35S]GTPgammaS binding by mea...				Eur J Med Chem 138: 38-50 (2017) Article DOI: 10.1016/j.ejmech.2017.06.008 BindingDB Entry DOI: 10.7270/Q2BV7K3C
					More data for this Ligand-Target Pair