BDBM50500001 CHEMBL3741483

SMILES: Clc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1

InChI Key: InChIKey=HXCCEUPPAFZYCP-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 = 50500001   

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))	BDBM50500001 (CHEMBL3741483) Show SMILES Clc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 Show InChI InChI=1S/C27H26ClN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	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))	BDBM50500001 (CHEMBL3741483) Show SMILES Clc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 Show InChI InChI=1S/C27H26ClN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	552	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))	BDBM50500001 (CHEMBL3741483) Show SMILES Clc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 Show InChI InChI=1S/C27H26ClN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	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