BDBM50246844 CHEMBL4089684

SMILES: C[C@H]1CNC(=N)N1Cc1cccnc1

InChI Key: InChIKey=HGMUFJUNPMYLNE-QMMMGPOBSA-N

Data: 2 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 2 hits for monomerid = 50246844   

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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50246844 (CHEMBL4089684) Show SMILES C[C@H]1CNC(=N)N1Cc1cccnc1 |r| Show InChI InChI=1S/C10H14N4/c1-8-5-13-10(11)14(8)7-9-3-2-4-12-6-9/h2-4,6,8H,5,7H2,1H3,(H2,11,13)/t8-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs				J Med Chem 60: 10092-10104 (2017) Article DOI: 10.1021/acs.jmedchem.7b01250 BindingDB Entry DOI: 10.7270/Q2PG1V5M
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50246844 (CHEMBL4089684) Show SMILES C[C@H]1CNC(=N)N1Cc1cccnc1 |r| Show InChI InChI=1S/C10H14N4/c1-8-5-13-10(11)14(8)7-9-3-2-4-12-6-9/h2-4,6,8H,5,7H2,1H3,(H2,11,13)/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.65E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK cell membranes after 2 hrs				J Med Chem 60: 10092-10104 (2017) Article DOI: 10.1021/acs.jmedchem.7b01250 BindingDB Entry DOI: 10.7270/Q2PG1V5M
					More data for this Ligand-Target Pair