BDBM50499998 CHEMBL3739762

SMILES: O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3[N+]#[C-])cc2)C(=O)c2ccccc12

InChI Key: InChIKey=GEYKQZVZAHAGNU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50499998   

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
Adrenergic receptor (Homo sapiens (Human))	BDBM50499998 (CHEMBL3739762) Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3[N+]#[C-])cc2)C(=O)c2ccccc12 Show InChI InChI=1S/C28H26N4O2/c1-29-25-8-4-5-9-26(25)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)20-32-27(33)23-6-2-3-7-24(23)28(32)34/h2-13H,14-20H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay				Bioorg Med Chem 23: 7735-42 (2015) Article DOI: 10.1016/j.bmc.2015.11.020 BindingDB Entry DOI: 10.7270/Q2K0779G
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50499998 (CHEMBL3739762) Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3[N+]#[C-])cc2)C(=O)c2ccccc12 Show InChI InChI=1S/C28H26N4O2/c1-29-25-8-4-5-9-26(25)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)20-32-27(33)23-6-2-3-7-24(23)28(32)34/h2-13H,14-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay				Bioorg Med Chem 23: 7735-42 (2015) Article DOI: 10.1016/j.bmc.2015.11.020 BindingDB Entry DOI: 10.7270/Q2K0779G
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50499998 (CHEMBL3739762) Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3[N+]#[C-])cc2)C(=O)c2ccccc12 Show InChI InChI=1S/C28H26N4O2/c1-29-25-8-4-5-9-26(25)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)20-32-27(33)23-6-2-3-7-24(23)28(32)34/h2-13H,14-20H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay				Bioorg Med Chem 23: 7735-42 (2015) Article DOI: 10.1016/j.bmc.2015.11.020 BindingDB Entry DOI: 10.7270/Q2K0779G
					More data for this Ligand-Target Pair