BDBM50360974 CHEMBL1935426

SMILES: O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1

InChI Key: InChIKey=BITWXVYTBYRISR-UHFFFAOYSA-N

Data: 5 KI  2 IC50

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 = 50360974   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50360974 (CHEMBL1935426) Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1 Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 22: 186-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.038 BindingDB Entry DOI: 10.7270/Q2NS0VB8
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50360974 (CHEMBL1935426) Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1 Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Binding affinity to rat histamine H3 receptor				Bioorg Med Chem Lett 22: 186-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.038 BindingDB Entry DOI: 10.7270/Q2NS0VB8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50360974 (CHEMBL1935426) Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1 Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				Bioorg Med Chem Lett 22: 186-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.038 BindingDB Entry DOI: 10.7270/Q2NS0VB8
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50360974 (CHEMBL1935426) Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1 Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Binding affinity to human histamine H4 receptor				Bioorg Med Chem Lett 22: 186-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.038 BindingDB Entry DOI: 10.7270/Q2NS0VB8
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50360974 (CHEMBL1935426) Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1 Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Binding affinity to human histamine H2 receptor				Bioorg Med Chem Lett 22: 186-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.038 BindingDB Entry DOI: 10.7270/Q2NS0VB8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50360974 (CHEMBL1935426) Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1 Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 22: 186-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.038 BindingDB Entry DOI: 10.7270/Q2NS0VB8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50360974 (CHEMBL1935426) Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1 Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human Erg				Bioorg Med Chem Lett 22: 186-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.038 BindingDB Entry DOI: 10.7270/Q2NS0VB8
					More data for this Ligand-Target Pair