BDBM50099434 CHEMBL2234448

SMILES: COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1

InChI Key: InChIKey=PQIXPACOBOVXFY-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50099434   

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))	BDBM50099434 (CHEMBL2234448) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HeLa cell membranes after 30 mins by TopCount liquid scintillation ...				Eur J Med Chem 125: 435-452 (2017) Article DOI: 10.1016/j.ejmech.2016.09.050 BindingDB Entry DOI: 10.7270/Q2BG2R46
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50099434 (CHEMBL2234448) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50099434 (CHEMBL2234448) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to adrenergic alpha1A receptor (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9379-1 BindingDB Entry DOI: 10.7270/Q2NG4THH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50099434 (CHEMBL2234448) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50099434 (CHEMBL2234448) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to adrenergic alpha1A receptor (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9379-1 BindingDB Entry DOI: 10.7270/Q2NG4THH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50099434 (CHEMBL2234448) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from recombinant human alpha1a adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin...				Eur J Med Chem 125: 435-452 (2017) Article DOI: 10.1016/j.ejmech.2016.09.050 BindingDB Entry DOI: 10.7270/Q2BG2R46
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50099434 (CHEMBL2234448) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50099434 (CHEMBL2234448) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from recombinant human alpha1b adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin...				Eur J Med Chem 125: 435-452 (2017) Article DOI: 10.1016/j.ejmech.2016.09.050 BindingDB Entry DOI: 10.7270/Q2BG2R46
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50099434 (CHEMBL2234448) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50099434 (CHEMBL2234448) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from recombinant human alpha1d adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin...				Eur J Med Chem 125: 435-452 (2017) Article DOI: 10.1016/j.ejmech.2016.09.050 BindingDB Entry DOI: 10.7270/Q2BG2R46
					More data for this Ligand-Target Pair