BDBM50222911 CHEMBL18436

SMILES: CCCCn1ncnc1-c1ccccc1NCC1=NCCN1

InChI Key: InChIKey=NKCHSAFUOLWUFI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50222911   

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 (Homo sapiens (Human))	BDBM50222911 (CHEMBL18436) Show SMILES CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 |t:19| Show InChI InChI=1S/C16H22N6/c1-2-3-10-22-16(20-12-21-22)13-6-4-5-7-14(13)19-11-15-17-8-9-18-15/h4-7,12,19H,2-3,8-11H2,1H3,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells				Bioorg Med Chem Lett 13: 1183-6 (2003) BindingDB Entry DOI: 10.7270/Q21V5G8T
					More data for this Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50222911 (CHEMBL18436) Show SMILES CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 |t:19| Show InChI InChI=1S/C16H22N6/c1-2-3-10-22-16(20-12-21-22)13-6-4-5-7-14(13)19-11-15-17-8-9-18-15/h4-7,12,19H,2-3,8-11H2,1H3,(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells				Bioorg Med Chem Lett 13: 1183-6 (2003) BindingDB Entry DOI: 10.7270/Q21V5G8T
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50222911 (CHEMBL18436) Show SMILES CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 |t:19| Show InChI InChI=1S/C16H22N6/c1-2-3-10-22-16(20-12-21-22)13-6-4-5-7-14(13)19-11-15-17-8-9-18-15/h4-7,12,19H,2-3,8-11H2,1H3,(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells				Bioorg Med Chem Lett 13: 1183-6 (2003) BindingDB Entry DOI: 10.7270/Q21V5G8T
					More data for this Ligand-Target Pair