BDBM50151858 4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetate::CHEMBL185434::OXYBUTYNIN::esoxybutynin

SMILES: CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1

InChI Key: InChIKey=XIQVNETUBQGFHX-QFIPXVFZSA-N

Data: 5 KI  1 IC50  1 Kd

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 7 hits for monomerid = 50151858   

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
CHRM4 (RABBIT)	BDBM50151858 (4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydr...) Show SMILES CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by PDSP Ki Database									Mol Pharmacol 38: 805-15 (1990) BindingDB Entry DOI: 10.7270/Q2H993P0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50151858 (4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydr...) Show SMILES CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by PDSP Ki Database									Mol Pharmacol 38: 805-15 (1990) BindingDB Entry DOI: 10.7270/Q2H993P0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50151858 (4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydr...) Show SMILES CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by PDSP Ki Database									Mol Pharmacol 38: 805-15 (1990) BindingDB Entry DOI: 10.7270/Q2H993P0
					More data for this Ligand-Target Pair
CHRM4 (Chick)	BDBM50151858 (4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydr...) Show SMILES CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	2.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by PDSP Ki Database									Mol Pharmacol 38: 805-15 (1990) BindingDB Entry DOI: 10.7270/Q2H993P0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50151858 (4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydr...) Show SMILES CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by PDSP Ki Database									Mol Pharmacol 38: 805-15 (1990) BindingDB Entry DOI: 10.7270/Q2H993P0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Cavia porcellus)	BDBM50151858 (4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydr...) Show SMILES CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Antagonism in muscarinic M3 receptor in guinea pig left atria				Bioorg Med Chem Lett 16: 373-7 (2005) Article DOI: 10.1016/j.bmcl.2005.09.079 BindingDB Entry DOI: 10.7270/Q2T72J70
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50151858 (4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydr...) Show SMILES CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration against IKr potassium channel				Bioorg Med Chem Lett 14: 4771-7 (2004) Article DOI: 10.1016/j.bmcl.2004.06.070 BindingDB Entry DOI: 10.7270/Q208661K
					More data for this Ligand-Target Pair