BDBM50406515 CHEMBL4161931

SMILES: Clc1cccc(Nc2cncc(c2)N2CC3CC(C2)N3)c1

InChI Key: InChIKey=FKTDACYAMWLNNN-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 = 50406515   

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))	BDBM50406515 (CHEMBL4161931) Show SMILES Clc1cccc(Nc2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:11:13:19:16| Show InChI InChI=1S/C16H17ClN4/c17-11-2-1-3-12(4-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.124	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))	BDBM50406515 (CHEMBL4161931) Show SMILES Clc1cccc(Nc2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:11:13:19:16| Show InChI InChI=1S/C16H17ClN4/c17-11-2-1-3-12(4-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	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; alpha3/beta4 (Homo sapiens (Human))	BDBM50406515 (CHEMBL4161931) Show SMILES Clc1cccc(Nc2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:11:13:19:16| Show InChI InChI=1S/C16H17ClN4/c17-11-2-1-3-12(4-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	293	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