BDBM50534295 CHEMBL4521227

SMILES: Fc1ccc(COc2cccc(c2)-c2cn(nn2)[C@H]2CN3CCC2CC3)cc1

InChI Key: InChIKey=KBCGDBMDBJDDGG-QFIPXVFZSA-N

Data: 3 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 3 hits for monomerid = 50534295   

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-7 subunit (Homo sapiens (Human))	BDBM50534295 (CHEMBL4521227) Show SMILES Fc1ccc(COc2cccc(c2)-c2cn(nn2)[C@H]2CN3CCC2CC3)cc1 |r,wU:18.19,THB:15:18:21.22:25.24,(33.44,-52.15,;32.67,-50.81,;31.13,-50.8,;30.37,-49.46,;31.15,-48.14,;30.39,-46.8,;28.84,-46.79,;28.08,-45.45,;28.86,-44.12,;28.08,-42.78,;26.55,-42.78,;25.78,-44.11,;26.54,-45.44,;24.24,-44.1,;23.19,-45.23,;21.79,-44.58,;21.98,-43.05,;23.49,-42.76,;20.45,-45.33,;20.25,-46.72,;18.71,-46.06,;17.34,-46.69,;17.63,-45.3,;18.97,-44.69,;18.91,-43.05,;18.45,-44.16,;32.68,-48.14,;33.45,-49.47,)| Show InChI InChI=1S/C22H23FN4O/c23-19-6-4-16(5-7-19)15-28-20-3-1-2-18(12-20)21-13-27(25-24-21)22-14-26-10-8-17(22)9-11-26/h1-7,12-13,17,22H,8-11,14-15H2/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]MLA from human alpha7 nAChR transfected in human SH-SY5Y cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50534295 (CHEMBL4521227) Show SMILES Fc1ccc(COc2cccc(c2)-c2cn(nn2)[C@H]2CN3CCC2CC3)cc1 |r,wU:18.19,THB:15:18:21.22:25.24,(33.44,-52.15,;32.67,-50.81,;31.13,-50.8,;30.37,-49.46,;31.15,-48.14,;30.39,-46.8,;28.84,-46.79,;28.08,-45.45,;28.86,-44.12,;28.08,-42.78,;26.55,-42.78,;25.78,-44.11,;26.54,-45.44,;24.24,-44.1,;23.19,-45.23,;21.79,-44.58,;21.98,-43.05,;23.49,-42.76,;20.45,-45.33,;20.25,-46.72,;18.71,-46.06,;17.34,-46.69,;17.63,-45.3,;18.97,-44.69,;18.91,-43.05,;18.45,-44.16,;32.68,-48.14,;33.45,-49.47,)| Show InChI InChI=1S/C22H23FN4O/c23-19-6-4-16(5-7-19)15-28-20-3-1-2-18(12-20)21-13-27(25-24-21)22-14-26-10-8-17(22)9-11-26/h1-7,12-13,17,22H,8-11,14-15H2/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK293 cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50534295 (CHEMBL4521227) Show SMILES Fc1ccc(COc2cccc(c2)-c2cn(nn2)[C@H]2CN3CCC2CC3)cc1 |r,wU:18.19,THB:15:18:21.22:25.24,(33.44,-52.15,;32.67,-50.81,;31.13,-50.8,;30.37,-49.46,;31.15,-48.14,;30.39,-46.8,;28.84,-46.79,;28.08,-45.45,;28.86,-44.12,;28.08,-42.78,;26.55,-42.78,;25.78,-44.11,;26.54,-45.44,;24.24,-44.1,;23.19,-45.23,;21.79,-44.58,;21.98,-43.05,;23.49,-42.76,;20.45,-45.33,;20.25,-46.72,;18.71,-46.06,;17.34,-46.69,;17.63,-45.3,;18.97,-44.69,;18.91,-43.05,;18.45,-44.16,;32.68,-48.14,;33.45,-49.47,)| Show InChI InChI=1S/C22H23FN4O/c23-19-6-4-16(5-7-19)15-28-20-3-1-2-18(12-20)21-13-27(25-24-21)22-14-26-10-8-17(22)9-11-26/h1-7,12-13,17,22H,8-11,14-15H2/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR transfected in HEK293 cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146
					More data for this Ligand-Target Pair