BDBM50259020 CHEMBL4091168

SMILES: C(COc1ccccn1)NCC1COCC(O1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=KEMLNXFOLRBJAU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50259020   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50259020 (CHEMBL4091168) Show SMILES C(COc1ccccn1)NCC1COCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-27-18-22(29-24)17-25-15-16-28-23-13-7-8-14-26-23/h1-14,22,25H,15-19H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50259020 (CHEMBL4091168) Show SMILES C(COc1ccccn1)NCC1COCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-27-18-22(29-24)17-25-15-16-28-23-13-7-8-14-26-23/h1-14,22,25H,15-19H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from recombinant human alpha-1d adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50259020 (CHEMBL4091168) Show SMILES C(COc1ccccn1)NCC1COCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-27-18-22(29-24)17-25-15-16-28-23-13-7-8-14-26-23/h1-14,22,25H,15-19H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from recombinant human alpha-1b adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50259020 (CHEMBL4091168) Show SMILES C(COc1ccccn1)NCC1COCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-27-18-22(29-24)17-25-15-16-28-23-13-7-8-14-26-23/h1-14,22,25H,15-19H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from recombinant human alpha-1a adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair