BDBM50475693 CHEMBL203400

SMILES: CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1

InChI Key: InChIKey=VLPUPQGQROBWIQ-QGZVFWFLSA-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 = 50475693   

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))	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from the cloned human D2 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor in rat cortex				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labeled MK-499 from cloned human ERG receptor expressed in HEK cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT1B receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair