BDBM50030245 CHEMBL3354073

SMILES: OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

InChI Key: InChIKey=QKTOQRPNKITPLN-UHFFFAOYSA-N

Data: 8 KI  8 IC50  3 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 19 hits for monomerid = 50030245   

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))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	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 M4 (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	447	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 M1 (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	468	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 M2 (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	603	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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	676	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+3	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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.91E+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 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
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.57E+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 M4 (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+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 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 M1 (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	112	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 M1 (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63E+4	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 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))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	204	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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	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 Antagonist activity at human SP/Myc epitope-tagged dopamine D4 receptor expressed in HEK293T cells assessed as inhibition of dopamine-induced mVenus-...				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(4) dopamine receptor (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	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 Antagonist activity at human SP/Myc epitope-tagged dopamine D4 receptor expressed in HEK293T cells assessed as inhibition of dopamine-induced RLuc8-f...				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 M4 (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+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 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 M4 (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Agonist activity at human M4 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))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	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 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))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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 M4 (Homo sapiens (Human))	BDBM50030245 (CHEMBL3354073) Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	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