BDBM50220782 CHEMBL53675

SMILES: CCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O

InChI Key: InChIKey=AXOUSXBEKHBGLU-UHFFFAOYSA-N

Data: 3 KI

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 = 50220782   

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-1A adrenergic receptor (Homo sapiens (Human))	BDBM50220782 (CHEMBL53675) Show SMILES CCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C21H26F4N4O3/c1-2-15-13-26-20(31)29(19(15)30)7-3-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50220782 (CHEMBL53675) Show SMILES CCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C21H26F4N4O3/c1-2-15-13-26-20(31)29(19(15)30)7-3-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50220782 (CHEMBL53675) Show SMILES CCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C21H26F4N4O3/c1-2-15-13-26-20(31)29(19(15)30)7-3-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair