BDBM50205358 CHEMBL3898341

SMILES: CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1

InChI Key: InChIKey=JQNSYTMOXNMQTB-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 = 50205358   

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))	BDBM50205358 (CHEMBL3898341) Show SMILES CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1 Show InChI InChI=1S/C37H52N4O3/c1-2-3-9-31-28-32-12-13-33(14-17-36(42)43)38-37(32)35(29-31)41-25-23-40(24-26-41)22-18-30-10-15-34(16-11-30)44-27-8-21-39-19-6-4-5-7-20-39/h10-13,15-16,28-29H,2-9,14,17-27H2,1H3,(H,42,43)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.794	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))	BDBM50205358 (CHEMBL3898341) Show SMILES CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1 Show InChI InChI=1S/C37H52N4O3/c1-2-3-9-31-28-32-12-13-33(14-17-36(42)43)38-37(32)35(29-31)41-25-23-40(24-26-41)22-18-30-10-15-34(16-11-30)44-27-8-21-39-19-6-4-5-7-20-39/h10-13,15-16,28-29H,2-9,14,17-27H2,1H3,(H,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	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))	BDBM50205358 (CHEMBL3898341) Show SMILES CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1 Show InChI InChI=1S/C37H52N4O3/c1-2-3-9-31-28-32-12-13-33(14-17-36(42)43)38-37(32)35(29-31)41-25-23-40(24-26-41)22-18-30-10-15-34(16-11-30)44-27-8-21-39-19-6-4-5-7-20-39/h10-13,15-16,28-29H,2-9,14,17-27H2,1H3,(H,42,43)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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 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))	BDBM50205358 (CHEMBL3898341) Show SMILES CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1 Show InChI InChI=1S/C37H52N4O3/c1-2-3-9-31-28-32-12-13-33(14-17-36(42)43)38-37(32)35(29-31)41-25-23-40(24-26-41)22-18-30-10-15-34(16-11-30)44-27-8-21-39-19-6-4-5-7-20-39/h10-13,15-16,28-29H,2-9,14,17-27H2,1H3,(H,42,43)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	398	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)	BDBM50205358 (CHEMBL3898341) Show SMILES CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1 Show InChI InChI=1S/C37H52N4O3/c1-2-3-9-31-28-32-12-13-33(14-17-36(42)43)38-37(32)35(29-31)41-25-23-40(24-26-41)22-18-30-10-15-34(16-11-30)44-27-8-21-39-19-6-4-5-7-20-39/h10-13,15-16,28-29H,2-9,14,17-27H2,1H3,(H,42,43)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.51E+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