BDBM50198439 CHEMBL3967641

SMILES: CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1

InChI Key: InChIKey=IBAMCKKDXCRFQF-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 = 50198439   

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))	BDBM50198439 (CHEMBL3967641) Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C21H28N2O/c1-18(2)24-21-11-7-6-10-20(21)23-16-14-22(15-17-23)13-12-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins				Eur J Med Chem 122: 601-610 (2016) Article DOI: 10.1016/j.ejmech.2016.06.052 BindingDB Entry DOI: 10.7270/Q2JW8GW1
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50198439 (CHEMBL3967641) Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C21H28N2O/c1-18(2)24-21-11-7-6-10-20(21)23-16-14-22(15-17-23)13-12-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins				Eur J Med Chem 122: 601-610 (2016) Article DOI: 10.1016/j.ejmech.2016.06.052 BindingDB Entry DOI: 10.7270/Q2JW8GW1
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50198439 (CHEMBL3967641) Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C21H28N2O/c1-18(2)24-21-11-7-6-10-20(21)23-16-14-22(15-17-23)13-12-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins				Eur J Med Chem 122: 601-610 (2016) Article DOI: 10.1016/j.ejmech.2016.06.052 BindingDB Entry DOI: 10.7270/Q2JW8GW1
					More data for this Ligand-Target Pair