BDBM50406793 CHEMBL4168267

SMILES: Clc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1Cl

InChI Key: InChIKey=XWMARNCIPYMLRK-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 = 50406793   

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))	BDBM50406793 (CHEMBL4168267) Show SMILES Clc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1Cl |TLB:10:12:18:15| Show InChI InChI=1S/C48H50N6O7/c1-52(28-32-15-7-3-8-16-32)46(58)39(25-31-13-5-2-6-14-31)50-44(56)38(49-42(55)27-40-47(59)54-36-23-21-34(22-24-36)43(54)45(57)51-40)26-35-29-53(41-20-12-11-19-37(35)41)48(60)61-30-33-17-9-4-10-18-33/h2-20,29,34,36,38-40,43H,21-28,30H2,1H3,(H,49,55)(H,50,56)(H,51,57)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	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 (Rattus norvegicus (Rat))	BDBM50406793 (CHEMBL4168267) Show SMILES Clc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1Cl |TLB:10:12:18:15| Show InChI InChI=1S/C48H50N6O7/c1-52(28-32-15-7-3-8-16-32)46(58)39(25-31-13-5-2-6-14-31)50-44(56)38(49-42(55)27-40-47(59)54-36-23-21-34(22-24-36)43(54)45(57)51-40)26-35-29-53(41-20-12-11-19-37(35)41)48(60)61-30-33-17-9-4-10-18-33/h2-20,29,34,36,38-40,43H,21-28,30H2,1H3,(H,49,55)(H,50,56)(H,51,57)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	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 [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