BDBM50419717 CHEMBL1946778

SMILES: C(COc1ccccc1)NCC1CCC(O1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=STDDNPFGFREFHT-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 = 50419717   

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))	BDBM50419717 (CHEMBL1946778) Show SMILES C(COc1ccccc1)NCC1CCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO2/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)17-16-24(28-25)20-26-18-19-27-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting				J Med Chem 55: 23-36 (2012) Article DOI: 10.1021/jm200421e BindingDB Entry DOI: 10.7270/Q2G44RKK
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50419717 (CHEMBL1946778) Show SMILES C(COc1ccccc1)NCC1CCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO2/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)17-16-24(28-25)20-26-18-19-27-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	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 Alpha-1D adrenoreceptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 55: 23-36 (2012) Article DOI: 10.1021/jm200421e BindingDB Entry DOI: 10.7270/Q2G44RKK
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50419717 (CHEMBL1946778) Show SMILES C(COc1ccccc1)NCC1CCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO2/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)17-16-24(28-25)20-26-18-19-27-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.7	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				J Med Chem 55: 23-36 (2012) Article DOI: 10.1021/jm200421e BindingDB Entry DOI: 10.7270/Q2G44RKK
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50419717 (CHEMBL1946778) Show SMILES C(COc1ccccc1)NCC1CCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO2/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)17-16-24(28-25)20-26-18-19-27-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	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				J Med Chem 55: 23-36 (2012) Article DOI: 10.1021/jm200421e BindingDB Entry DOI: 10.7270/Q2G44RKK
					More data for this Ligand-Target Pair