BDBM50213212 CHEMBL50390

SMILES: Cc1c(NC2=NCCN2)ccc2OCCOc12

InChI Key: InChIKey=BJNQZYVNKAVYSF-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50213212   

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))	BDBM50213212 (CHEMBL50390) Show SMILES Cc1c(NC2=NCCN2)ccc2OCCOc12 |t:4| Show InChI InChI=1S/C12H15N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-3H,4-7H2,1H3,(H2,13,14,15)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6F1V
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50213212 (CHEMBL50390) Show SMILES Cc1c(NC2=NCCN2)ccc2OCCOc12 |t:4| Show InChI InChI=1S/C12H15N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-3H,4-7H2,1H3,(H2,13,14,15)	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for Alpha-1 adrenergic receptor of human cerebral cortex membrane				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6F1V
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50213212 (CHEMBL50390) Show SMILES Cc1c(NC2=NCCN2)ccc2OCCOc12 |t:4| Show InChI InChI=1S/C12H15N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-3H,4-7H2,1H3,(H2,13,14,15)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	n/a	n/a	0.350	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6F1V
					More data for this Ligand-Target Pair