BDBM50057465 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid {3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amide::CHEMBL278865::Upidosin

SMILES: COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1

InChI Key: InChIKey=DUCNHKDCVVSJLG-UHFFFAOYSA-N

Data: 5 KI  2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50057465   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50057465 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1 Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1A adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50057465 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1 Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding constant measured against Alpha-1A adrenergic receptor in human prostate; ++:moderately active				Bioorg Med Chem Lett 15: 657-64 (2005) Article DOI: 10.1016/j.bmcl.2004.11.032 BindingDB Entry DOI: 10.7270/Q2SN08GW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50057465 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1 Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1D adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50057465 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1 Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1B adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50057465 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1 Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor serotonergic receptor in human HeLa cells				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50057465 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1 Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)	Reactome pathway UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Binding affinity was tested on CEC-pretreated rat liver Alpha-1B adrenergic receptor				J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50057465 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1 Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor				J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN
					More data for this Ligand-Target Pair