null

SMILES: Oc1ccc(C[C@H]2CNC(=N)N2CCc2cccnc2)cc1

InChI Key: InChIKey=LMPPCWYYDZRXBJ-HNNXBMFYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50246821   

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 subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50246821 (CHEMBL4062628) Show SMILES Oc1ccc(C[C@H]2CNC(=N)N2CCc2cccnc2)cc1 |r| Show InChI InChI=1S/C17H20N4O/c18-17-20-12-15(10-13-3-5-16(22)6-4-13)21(17)9-7-14-2-1-8-19-11-14/h1-6,8,11,15,22H,7,9-10,12H2,(H2,18,20)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.61E+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 subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50246821 (CHEMBL4062628) Show SMILES Oc1ccc(C[C@H]2CNC(=N)N2CCc2cccnc2)cc1 |r| Show InChI InChI=1S/C17H20N4O/c18-17-20-12-15(10-13-3-5-16(22)6-4-13)21(17)9-7-14-2-1-8-19-11-14/h1-6,8,11,15,22H,7,9-10,12H2,(H2,18,20)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.74E+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