BDBM50172998 CHEMBL3809175

SMILES: COc1cc(Br)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O

InChI Key: InChIKey=DOTZWXOJVYIZBJ-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 = 50172998   

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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50172998 (CHEMBL3809175) Show SMILES COc1cc(Br)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O Show InChI InChI=1S/C24H32BrN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-5,13-16,27,29H,3,6-12H2,1-2H3,(H2,26,30)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	274	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...				J Med Chem 59: 3826-39 (2016) BindingDB Entry DOI: 10.7270/Q22N5461
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50172998 (CHEMBL3809175) Show SMILES COc1cc(Br)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O Show InChI InChI=1S/C24H32BrN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-5,13-16,27,29H,3,6-12H2,1-2H3,(H2,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...				J Med Chem 59: 3826-39 (2016) BindingDB Entry DOI: 10.7270/Q22N5461
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50172998 (CHEMBL3809175) Show SMILES COc1cc(Br)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O Show InChI InChI=1S/C24H32BrN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-5,13-16,27,29H,3,6-12H2,1-2H3,(H2,26,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	866	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Antagonist activity at human alpha-1B adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...				J Med Chem 59: 3826-39 (2016) BindingDB Entry DOI: 10.7270/Q22N5461
					More data for this Ligand-Target Pair