BDBM50479675 CHEMBL473567

SMILES: CCN(C)c1ccc(NC2=NCCN2)cc1

InChI Key: InChIKey=IQXOTOMLRTYVLQ-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 = 50479675   

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))	BDBM50479675 (CHEMBL473567) Show SMILES CCN(C)c1ccc(NC2=NCCN2)cc1 |t:9| Show InChI InChI=1S/C12H18N4/c1-3-16(2)11-6-4-10(5-7-11)15-12-13-8-9-14-12/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dublin Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex neural membrane after 30 mins by liquid scintillation spectrometry				J Med Chem 52: 601-9 (2009) Article DOI: 10.1021/jm800838r BindingDB Entry DOI: 10.7270/Q26M39MM
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50479675 (CHEMBL473567) Show SMILES CCN(C)c1ccc(NC2=NCCN2)cc1 |t:9| Show InChI InChI=1S/C12H18N4/c1-3-16(2)11-6-4-10(5-7-11)15-12-13-8-9-14-12/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)	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	1.90E+3	n/a	n/a	n/a	n/a
University of Dublin Curated by ChEMBL					Assay Description Agonist activity at alpha2 adrenoceptor in human cortical membrane after 2 hrs by [35S]GTPgammaS binding assay				J Med Chem 52: 601-9 (2009) Article DOI: 10.1021/jm800838r BindingDB Entry DOI: 10.7270/Q26M39MM
					More data for this Ligand-Target Pair