BDBM50019148 CHEMBL3289075

SMILES: OCCCCc1cn(nn1)-c1cncc(OC[C@@H]2CCN2)c1

InChI Key: InChIKey=BYJQXYIPKVANMQ-ZDUSSCGKSA-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 = 50019148   

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))	BDBM50019148 (CHEMBL3289075) Show SMILES OCCCCc1cn(nn1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H21N5O2/c21-6-2-1-3-12-10-20(19-18-12)14-7-15(9-16-8-14)22-11-13-4-5-17-13/h7-10,13,17,21H,1-6,11H2/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]epibatadine from rat alpha4beta2 nAChR expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 24: 2954-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.036 BindingDB Entry DOI: 10.7270/Q27P910H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50019148 (CHEMBL3289075) Show SMILES OCCCCc1cn(nn1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H21N5O2/c21-6-2-1-3-12-10-20(19-18-12)14-7-15(9-16-8-14)22-11-13-4-5-17-13/h7-10,13,17,21H,1-6,11H2/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 24: 2954-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.036 BindingDB Entry DOI: 10.7270/Q27P910H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50019148 (CHEMBL3289075) Show SMILES OCCCCc1cn(nn1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H21N5O2/c21-6-2-1-3-12-10-20(19-18-12)14-7-15(9-16-8-14)22-11-13-4-5-17-13/h7-10,13,17,21H,1-6,11H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]epibatadine from rat alpha7 nAChR expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 24: 2954-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.036 BindingDB Entry DOI: 10.7270/Q27P910H
					More data for this Ligand-Target Pair