BDBM50030246 CHEMBL3354074

SMILES: OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

InChI Key: InChIKey=WOWRXMYCLGLRFQ-UHFFFAOYSA-N

Data: 8 KI  4 IC50  4 EC50

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 16 hits for monomerid = 50030246   

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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				J Med Chem 61: 3712-3725 (2018) Article DOI: 10.1021/acs.jmedchem.8b00265 BindingDB Entry DOI: 10.7270/Q20K2C2P
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M2 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M1 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	389	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	933	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				J Med Chem 61: 3712-3725 (2018) Article DOI: 10.1021/acs.jmedchem.8b00265 BindingDB Entry DOI: 10.7270/Q20K2C2P
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				J Med Chem 61: 3712-3725 (2018) Article DOI: 10.1021/acs.jmedchem.8b00265 BindingDB Entry DOI: 10.7270/Q20K2C2P
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M5 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	229	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Agonist activity at human M1 receptor expressed in HEK293T cells by BRET based Gq protein engagement assay				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based Gq protein eng...				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Agonist activity at human M1 receptor expressed in HEK293T cells by BRET based Gq protein activation assay				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Antagonist activity at human M1 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based beta-arrestin ...				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Positive modulatory activity at human M1 receptor expressed in HEK293T cells assessed as effect on carbachol-induced response by BRET based Gq protei...				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by beta-arrestin engagement ...				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	589	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based Gq protein act...				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50030246 (CHEMBL3354074) Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Positive modulatory activity at human M1 receptor expressed in HEK293T cells assessed as effect on carbachol-induced response by BRET based Gq protei...				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair