BDBM50205359 CHEMBL3917428

SMILES: OC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1

InChI Key: InChIKey=FZTMDWIJTHPEMP-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50205359   

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))	BDBM50205359 (CHEMBL3917428) Show SMILES OC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1 Show InChI InChI=1S/C40H50N4O3/c45-39(46)18-15-36-14-13-35-30-34(29-33-9-4-3-5-10-33)31-38(40(35)41-36)44-26-24-43(25-27-44)23-19-32-11-16-37(17-12-32)47-28-8-22-42-20-6-1-2-7-21-42/h3-5,9-14,16-17,30-31H,1-2,6-8,15,18-29H2,(H,45,46)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human Histamine H3 receptor expressed in CHO cell membranes assessed as inhibition of histamine-induced [35S]GTPgammaS binding...				Bioorg Med Chem Lett 26: 5855-5859 (2016) Article DOI: 10.1016/j.bmcl.2016.11.022 BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50205359 (CHEMBL3917428) Show SMILES OC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1 Show InChI InChI=1S/C40H50N4O3/c45-39(46)18-15-36-14-13-35-30-34(29-33-9-4-3-5-10-33)31-38(40(35)41-36)44-26-24-43(25-27-44)23-19-32-11-16-37(17-12-32)47-28-8-22-42-20-6-1-2-7-21-42/h3-5,9-14,16-17,30-31H,1-2,6-8,15,18-29H2,(H,45,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human Histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced calcium flux preincubated for 3...				Bioorg Med Chem Lett 26: 5855-5859 (2016) Article DOI: 10.1016/j.bmcl.2016.11.022 BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50205359 (CHEMBL3917428) Show SMILES OC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1 Show InChI InChI=1S/C40H50N4O3/c45-39(46)18-15-36-14-13-35-30-34(29-33-9-4-3-5-10-33)31-38(40(35)41-36)44-26-24-43(25-27-44)23-19-32-11-16-37(17-12-32)47-28-8-22-42-20-6-1-2-7-21-42/h3-5,9-14,16-17,30-31H,1-2,6-8,15,18-29H2,(H,45,46)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at adrenergic alpha1A receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux...				Bioorg Med Chem Lett 26: 5855-5859 (2016) Article DOI: 10.1016/j.bmcl.2016.11.022 BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50205359 (CHEMBL3917428) Show SMILES OC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1 Show InChI InChI=1S/C40H50N4O3/c45-39(46)18-15-36-14-13-35-30-34(29-33-9-4-3-5-10-33)31-38(40(35)41-36)44-26-24-43(25-27-44)23-19-32-11-16-37(17-12-32)47-28-8-22-42-20-6-1-2-7-21-42/h3-5,9-14,16-17,30-31H,1-2,6-8,15,18-29H2,(H,45,46)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at adrenergic alpha1B receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux...				Bioorg Med Chem Lett 26: 5855-5859 (2016) Article DOI: 10.1016/j.bmcl.2016.11.022 BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50205359 (CHEMBL3917428) Show SMILES OC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1 Show InChI InChI=1S/C40H50N4O3/c45-39(46)18-15-36-14-13-35-30-34(29-33-9-4-3-5-10-33)31-38(40(35)41-36)44-26-24-43(25-27-44)23-19-32-11-16-37(17-12-32)47-28-8-22-42-20-6-1-2-7-21-42/h3-5,9-14,16-17,30-31H,1-2,6-8,15,18-29H2,(H,45,46)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHOK1 cell membranes incubated for 4 hrs in dark by luminescent assay				Bioorg Med Chem Lett 26: 5855-5859 (2016) Article DOI: 10.1016/j.bmcl.2016.11.022 BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
					More data for this Ligand-Target Pair