BDBM50201050 (1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-8-yl)-nicotinamide::5-((1R,6S)-3,8-diaza-bicyclo[4.2.0]octan-8-yl)-2-bromonicotinamide::CHEMBL376273

SMILES: NC(=O)c1cc(cnc1Br)N1C[C@@H]2CCNC[C@H]12

InChI Key: InChIKey=USBWZALTSNTXBS-XVKPBYJWSA-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 = 50201050   

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
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human))	BDBM50201050 ((1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-8-y...) Show SMILES NC(=O)c1cc(cnc1Br)N1C[C@@H]2CCNC[C@H]12 |r| Show InChI InChI=1S/C12H15BrN4O/c13-11-9(12(14)18)3-8(4-16-11)17-6-7-1-2-15-5-10(7)17/h3-4,7,10,15H,1-2,5-6H2,(H2,14,18)/t7-,10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research Curated by ChEMBL					Assay Description Agonist activity against human alpha3beta4 nAChR				Bioorg Med Chem Lett 19: 127-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.016 BindingDB Entry DOI: 10.7270/Q2T154WM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50201050 ((1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-8-y...) Show SMILES NC(=O)c1cc(cnc1Br)N1C[C@@H]2CCNC[C@H]12 |r| Show InChI InChI=1S/C12H15BrN4O/c13-11-9(12(14)18)3-8(4-16-11)17-6-7-1-2-15-5-10(7)17/h3-4,7,10,15H,1-2,5-6H2,(H2,14,18)/t7-,10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research Curated by ChEMBL					Assay Description Agonist activity against human alpha4beta2 nAChR				Bioorg Med Chem Lett 19: 127-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.016 BindingDB Entry DOI: 10.7270/Q2T154WM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50201050 ((1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-8-y...) Show SMILES NC(=O)c1cc(cnc1Br)N1C[C@@H]2CCNC[C@H]12 |r| Show InChI InChI=1S/C12H15BrN4O/c13-11-9(12(14)18)3-8(4-16-11)17-6-7-1-2-15-5-10(7)17/h3-4,7,10,15H,1-2,5-6H2,(H2,14,18)/t7-,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR				J Med Chem 49: 7843-53 (2006) Article DOI: 10.1021/jm060846z BindingDB Entry DOI: 10.7270/Q28G8MZZ
					More data for this Ligand-Target Pair