BDBM50403777 CHEMBL12702

SMILES: COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1

InChI Key: InChIKey=MUBNQYJQCBLICS-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50403777   

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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50403777 (CHEMBL12702) Show SMILES COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 Show InChI InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor was determined using [3H]5-CT as radioligand				J Med Chem 46: 5638-50 (2003) Article DOI: 10.1021/jm030841r BindingDB Entry DOI: 10.7270/Q29W0J74
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50403777 (CHEMBL12702) Show SMILES COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 Show InChI InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cracow University of Technology Curated by ChEMBL					Assay Description Displacement of [3H]5-CT from human 5HT7 receptor expressed in in COS7 cells incubated for 30 mins by liquid scintillation counting method				Bioorg Med Chem 27: 3396-3407 (2019) Article DOI: 10.1016/j.bmc.2019.06.028
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50403777 (CHEMBL12702) Show SMILES COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 Show InChI InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor using [3H]5-CT as radioligand				Bioorg Med Chem Lett 10: 1097-100 (2000) BindingDB Entry DOI: 10.7270/Q2JS9RNJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50403777 (CHEMBL12702) Show SMILES COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 Show InChI InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]5-CT binding from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells.				J Med Chem 42: 533-5 (1999) Article DOI: 10.1021/jm980519u BindingDB Entry DOI: 10.7270/Q2X63QPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50403777 (CHEMBL12702) Show SMILES COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 Show InChI InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha Ltd. Curated by ChEMBL					Assay Description Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand				J Med Chem 45: 2197-206 (2002) Article DOI: 10.1021/jm0104264 BindingDB Entry DOI: 10.7270/Q2S46VRM
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50403777 (CHEMBL12702) Show SMILES COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 Show InChI InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]ketanserin binding from cloned rat cerebral cortex membranes 5-hydroxytryptamine 2 receptor				J Med Chem 42: 533-5 (1999) Article DOI: 10.1021/jm980519u BindingDB Entry DOI: 10.7270/Q2X63QPV
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50403777 (CHEMBL12702) Show SMILES COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 Show InChI InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity to 5-hydroxytryptamine 2 receptor of rat cerebral cortex membranes using [3H]ketanserin as the radioligand				J Med Chem 45: 2197-206 (2002) Article DOI: 10.1021/jm0104264 BindingDB Entry DOI: 10.7270/Q2S46VRM
					More data for this Ligand-Target Pair