BDBM50226331 CHEMBL29275

SMILES: CC(C)Nc1nc(nc(Cl)c1Br)N1CCNCC1

InChI Key: InChIKey=XJHZFIAEXWBTRQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50226331   

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))	BDBM50226331 (CHEMBL29275) Show SMILES CC(C)Nc1nc(nc(Cl)c1Br)N1CCNCC1 Show InChI InChI=1S/C11H17BrClN5/c1-7(2)15-10-8(12)9(13)16-11(17-10)18-5-3-14-4-6-18/h7,14H,3-6H2,1-2H3,(H,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50226331 (CHEMBL29275) Show SMILES CC(C)Nc1nc(nc(Cl)c1Br)N1CCNCC1 Show InChI InChI=1S/C11H17BrClN5/c1-7(2)15-10-8(12)9(13)16-11(17-10)18-5-3-14-4-6-18/h7,14H,3-6H2,1-2H3,(H,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]idazoxan 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))	BDBM50226331 (CHEMBL29275) Show SMILES CC(C)Nc1nc(nc(Cl)c1Br)N1CCNCC1 Show InChI InChI=1S/C11H17BrClN5/c1-7(2)15-10-8(12)9(13)16-11(17-10)18-5-3-14-4-6-18/h7,14H,3-6H2,1-2H3,(H,15,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	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...)	BDBM50226331 (CHEMBL29275) Show SMILES CC(C)Nc1nc(nc(Cl)c1Br)N1CCNCC1 Show InChI InChI=1S/C11H17BrClN5/c1-7(2)15-10-8(12)9(13)16-11(17-10)18-5-3-14-4-6-18/h7,14H,3-6H2,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	880	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