BDBM50203558 4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-7-methoxy-N-(quinuclidin-3-yl)benzofuran-2-carboxamide::CHEMBL394218

SMILES: COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC

InChI Key: InChIKey=RKQFKAILJGXGRP-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 = 50203558   

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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203558 (4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC |w:23.24,TEB:22:23:26.27:30.29,(16.31,-37.39,;14.97,-38.15,;13.64,-37.38,;12.31,-38.14,;10.99,-37.37,;9.65,-38.14,;8.33,-37.37,;8.32,-35.83,;6.99,-35.06,;6.99,-33.52,;5.66,-32.75,;5.66,-31.2,;6.99,-30.43,;6.98,-28.9,;5.64,-28.13,;8.32,-31.2,;9.8,-30.71,;10.72,-31.96,;9.81,-33.22,;8.33,-32.75,;12.26,-31.95,;13.03,-33.28,;13.02,-30.61,;14.56,-30.63,;15.38,-31.75,;16.42,-30.44,;17.92,-30.34,;17.02,-29.25,;15.54,-29.36,;14.82,-27.89,;15.74,-28.65,;9.66,-35.05,;10.99,-35.83,;12.32,-35.07,;13.64,-35.84,;14.98,-35.08,;16.31,-35.85,)| Show InChI InChI=1S/C29H35N3O5/c1-34-24-5-4-20(15-32-11-8-19-12-25(35-2)26(36-3)13-21(19)16-32)22-14-27(37-28(22)24)29(33)30-23-17-31-9-6-18(23)7-10-31/h4-5,12-14,18,23H,6-11,15-17H2,1-3H3,(H,30,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50203558 (4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC |w:23.24,TEB:22:23:26.27:30.29,(16.31,-37.39,;14.97,-38.15,;13.64,-37.38,;12.31,-38.14,;10.99,-37.37,;9.65,-38.14,;8.33,-37.37,;8.32,-35.83,;6.99,-35.06,;6.99,-33.52,;5.66,-32.75,;5.66,-31.2,;6.99,-30.43,;6.98,-28.9,;5.64,-28.13,;8.32,-31.2,;9.8,-30.71,;10.72,-31.96,;9.81,-33.22,;8.33,-32.75,;12.26,-31.95,;13.03,-33.28,;13.02,-30.61,;14.56,-30.63,;15.38,-31.75,;16.42,-30.44,;17.92,-30.34,;17.02,-29.25,;15.54,-29.36,;14.82,-27.89,;15.74,-28.65,;9.66,-35.05,;10.99,-35.83,;12.32,-35.07,;13.64,-35.84,;14.98,-35.08,;16.31,-35.85,)| Show InChI InChI=1S/C29H35N3O5/c1-34-24-5-4-20(15-32-11-8-19-12-25(35-2)26(36-3)13-21(19)16-32)22-14-27(37-28(22)24)29(33)30-23-17-31-9-6-18(23)7-10-31/h4-5,12-14,18,23H,6-11,15-17H2,1-3H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50203558 (4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC |w:23.24,TEB:22:23:26.27:30.29,(16.31,-37.39,;14.97,-38.15,;13.64,-37.38,;12.31,-38.14,;10.99,-37.37,;9.65,-38.14,;8.33,-37.37,;8.32,-35.83,;6.99,-35.06,;6.99,-33.52,;5.66,-32.75,;5.66,-31.2,;6.99,-30.43,;6.98,-28.9,;5.64,-28.13,;8.32,-31.2,;9.8,-30.71,;10.72,-31.96,;9.81,-33.22,;8.33,-32.75,;12.26,-31.95,;13.03,-33.28,;13.02,-30.61,;14.56,-30.63,;15.38,-31.75,;16.42,-30.44,;17.92,-30.34,;17.02,-29.25,;15.54,-29.36,;14.82,-27.89,;15.74,-28.65,;9.66,-35.05,;10.99,-35.83,;12.32,-35.07,;13.64,-35.84,;14.98,-35.08,;16.31,-35.85,)| Show InChI InChI=1S/C29H35N3O5/c1-34-24-5-4-20(15-32-11-8-19-12-25(35-2)26(36-3)13-21(19)16-32)22-14-27(37-28(22)24)29(33)30-23-17-31-9-6-18(23)7-10-31/h4-5,12-14,18,23H,6-11,15-17H2,1-3H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	857	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic alpha-2B receptor expressed in COS7 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair