BDBM50409813 CHEMBL1083181::CHEMBL37883

SMILES: C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=NNVMIQMBTAAZFU-UHFFFAOYSA-N

Data: 12 KI  1 Kd

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 13 hits for monomerid = 50409813   

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))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	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 cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.55	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 5-HT1A receptor expressed in human HeLa cells				Bioorg Med Chem Lett 20: 2017-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.030 BindingDB Entry DOI: 10.7270/Q2X34ZQJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.55	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
Adrenergic receptor (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 cloned adrenoceptor alpha 1D expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.5	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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.5	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 Alpha-1D adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2017-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.030 BindingDB Entry DOI: 10.7270/Q2X34ZQJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	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 cloned adrenoceptor alpha 1A expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.1	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 alpha1A adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2017-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.030 BindingDB Entry DOI: 10.7270/Q2X34ZQJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.1	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 receptor (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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 cloned adrenoceptor alpha 1B expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	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 Alpha-1B adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2017-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.030 BindingDB Entry DOI: 10.7270/Q2X34ZQJ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.27	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)				J Med Chem 46: 1504-11 (2003) Article DOI: 10.1021/jm021078o BindingDB Entry DOI: 10.7270/Q2VQ33WN
					More data for this Ligand-Target Pair