BDBM50455433 CHEMBL129801

SMILES: Clc1ccc(nn1)N1CC2CCC(C1)N2

InChI Key: InChIKey=USXYDBGSWSSTGE-UHFFFAOYSA-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 = 50455433   

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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50455433 (CHEMBL129801) Show SMILES Clc1ccc(nn1)N1CC2CCC(C1)N2 |TLB:4:7:14:10.11| Show InChI InChI=1S/C10H13ClN4/c11-9-3-4-10(14-13-9)15-5-7-1-2-8(6-15)12-7/h3-4,7-8,12H,1-2,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	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 Agonist activity at alpha4beta2 nAChR (unknown origin)				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))	BDBM50455433 (CHEMBL129801) Show SMILES Clc1ccc(nn1)N1CC2CCC(C1)N2 |TLB:4:7:14:10.11| Show InChI InChI=1S/C10H13ClN4/c11-9-3-4-10(14-13-9)15-5-7-1-2-8(6-15)12-7/h3-4,7-8,12H,1-2,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Degli Studi di Milano Curated by ChEMBL					Assay Description Cholinergic interactions was measured as displaced [3H]cystine from Nicotinic acetylcholine receptor alpha4-beta2 in rat brain membranes				J Med Chem 41: 674-81 (1998) Article DOI: 10.1021/jm970427p BindingDB Entry DOI: 10.7270/Q2CV4K7B
					More data for this Ligand-Target Pair