BDBM50406705 CHEMBL4167459

SMILES: FC(F)(F)c1ccc(Nc2ccc(nn2)N2CC3CC(C2)N3)cc1

InChI Key: InChIKey=LJZVEMPJGOKQGQ-UHFFFAOYSA-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 = 50406705   

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 (Rattus norvegicus (Rat))	BDBM50406705 (CHEMBL4167459) Show SMILES FC(F)(F)c1ccc(Nc2ccc(nn2)N2CC3CC(C2)N3)cc1 |TLB:12:15:21:18| Show InChI InChI=1S/C16H16F3N5/c17-16(18,19)10-1-3-11(4-2-10)21-14-5-6-15(23-22-14)24-8-12-7-13(9-24)20-12/h1-6,12-13,20H,7-9H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Biomolecolare Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat hippocampal membranes				Eur J Med Chem 152: 401-416 (2018) Article DOI: 10.1016/j.ejmech.2018.04.026 BindingDB Entry DOI: 10.7270/Q2930WQM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50406705 (CHEMBL4167459) Show SMILES FC(F)(F)c1ccc(Nc2ccc(nn2)N2CC3CC(C2)N3)cc1 |TLB:12:15:21:18| Show InChI InChI=1S/C16H16F3N5/c17-16(18,19)10-1-3-11(4-2-10)21-14-5-6-15(23-22-14)24-8-12-7-13(9-24)20-12/h1-6,12-13,20H,7-9H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Biomolecolare Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				Eur J Med Chem 152: 401-416 (2018) Article DOI: 10.1016/j.ejmech.2018.04.026 BindingDB Entry DOI: 10.7270/Q2930WQM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50406705 (CHEMBL4167459) Show SMILES FC(F)(F)c1ccc(Nc2ccc(nn2)N2CC3CC(C2)N3)cc1 |TLB:12:15:21:18| Show InChI InChI=1S/C16H16F3N5/c17-16(18,19)10-1-3-11(4-2-10)21-14-5-6-15(23-22-14)24-8-12-7-13(9-24)20-12/h1-6,12-13,20H,7-9H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Biomolecolare Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes				Eur J Med Chem 152: 401-416 (2018) Article DOI: 10.1016/j.ejmech.2018.04.026 BindingDB Entry DOI: 10.7270/Q2930WQM
					More data for this Ligand-Target Pair