BDBM50019150 CHEMBL3289077

SMILES: C(Oc1cncc(c1)-c1nnn2CCCCc12)[C@@H]1CCN1

InChI Key: InChIKey=BCOXOAZXKYUVMZ-LBPRGKRZSA-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 = 50019150   

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))	BDBM50019150 (CHEMBL3289077) Show SMILES C(Oc1cncc(c1)-c1nnn2CCCCc12)[C@@H]1CCN1 |r| Show InChI InChI=1S/C15H19N5O/c1-2-6-20-14(3-1)15(18-19-20)11-7-13(9-16-8-11)21-10-12-4-5-17-12/h7-9,12,17H,1-6,10H2/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 (Rattus norvegicus (Rat))	BDBM50019150 (CHEMBL3289077) Show SMILES C(Oc1cncc(c1)-c1nnn2CCCCc12)[C@@H]1CCN1 |r| Show InChI InChI=1S/C15H19N5O/c1-2-6-20-14(3-1)15(18-19-20)11-7-13(9-16-8-11)21-10-12-4-5-17-12/h7-9,12,17H,1-6,10H2/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+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 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
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50019150 (CHEMBL3289077) Show SMILES C(Oc1cncc(c1)-c1nnn2CCCCc12)[C@@H]1CCN1 |r| Show InChI InChI=1S/C15H19N5O/c1-2-6-20-14(3-1)15(18-19-20)11-7-13(9-16-8-11)21-10-12-4-5-17-12/h7-9,12,17H,1-6,10H2/t12-/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	6.40E+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