BDBM50226313 CHEMBL31950

SMILES: CC(C)Nc1nc(nc(Cl)c1Br)N1CCN(C)CC1

InChI Key: InChIKey=VVOIXIDITDXJHG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50226313   

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 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50226313 (CHEMBL31950) Show SMILES CC(C)Nc1nc(nc(Cl)c1Br)N1CCN(C)CC1 Show InChI InChI=1S/C12H19BrClN5/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes				J Med Chem 29: 1394-8 (1986) BindingDB Entry DOI: 10.7270/Q21R6SQQ
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226313 (CHEMBL31950) Show SMILES CC(C)Nc1nc(nc(Cl)c1Br)N1CCN(C)CC1 Show InChI InChI=1S/C12H19BrClN5/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes				J Med Chem 29: 1394-8 (1986) BindingDB Entry DOI: 10.7270/Q21R6SQQ
					More data for this Ligand-Target Pair
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50226313 (CHEMBL31950) Show SMILES CC(C)Nc1nc(nc(Cl)c1Br)N1CCN(C)CC1 Show InChI InChI=1S/C12H19BrClN5/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement.				J Med Chem 29: 1394-8 (1986) BindingDB Entry DOI: 10.7270/Q21R6SQQ
					More data for this Ligand-Target Pair