BDBM50006630 CHEMBL3235506

SMILES: [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2

InChI Key: InChIKey=IICRALMYLRTBJM-GUYCJALGSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50006630   

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))	BDBM50006630 (CHEMBL3235506) Show SMILES [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r| Show InChI InChI=1S/C17H23NO2/c1-20-16-11-14-12(10-15(16)19)5-8-18-9-6-13-4-2-3-7-17(13,14)18/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat))	BDBM50006630 (CHEMBL3235506) Show SMILES [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r| Show InChI InChI=1S/C17H23NO2/c1-20-16-11-14-12(10-15(16)19)5-8-18-9-6-13-4-2-3-7-17(13,14)18/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50006630 (CHEMBL3235506) Show SMILES [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r| Show InChI InChI=1S/C17H23NO2/c1-20-16-11-14-12(10-15(16)19)5-8-18-9-6-13-4-2-3-7-17(13,14)18/h10-11,13,19H,2-9H2,1H3/t13-,17-/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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2 (Mus musculus)	BDBM50006630 (CHEMBL3235506) Show SMILES [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r| Show InChI InChI=1S/C17H23NO2/c1-20-16-11-14-12(10-15(16)19)5-8-18-9-6-13-4-2-3-7-17(13,14)18/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50006630 (CHEMBL3235506) Show SMILES [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r| Show InChI InChI=1S/C17H23NO2/c1-20-16-11-14-12(10-15(16)19)5-8-18-9-6-13-4-2-3-7-17(13,14)18/h10-11,13,19H,2-9H2,1H3/t13-,17-/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	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair