BDBM50201789 CHEMBL3946843

SMILES: COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1

InChI Key: InChIKey=JINGANVHFUGONE-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 = 50201789   

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))	BDBM50201789 (CHEMBL3946843) Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1 Show InChI InChI=1S/C22H30N2O2/c1-18(2)26-22-10-5-4-9-21(22)24-15-13-23(14-16-24)12-11-19-7-6-8-20(17-19)25-3/h4-10,17-18H,11-16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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))	BDBM50201789 (CHEMBL3946843) Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1 Show InChI InChI=1S/C22H30N2O2/c1-18(2)26-22-10-5-4-9-21(22)24-15-13-23(14-16-24)12-11-19-7-6-8-20(17-19)25-3/h4-10,17-18H,11-16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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))	BDBM50201789 (CHEMBL3946843) Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1 Show InChI InChI=1S/C22H30N2O2/c1-18(2)26-22-10-5-4-9-21(22)24-15-13-23(14-16-24)12-11-19-7-6-8-20(17-19)25-3/h4-10,17-18H,11-16H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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