BDBM50131889 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid (3-{4-[2-(4-methyl-5-oxy-furazan-3-ylmethoxy)-phenyl]-piperazin-1-yl}-propyl)-amide::CHEMBL338608

SMILES: Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-]

InChI Key: InChIKey=NXDKJWPLVWUKRS-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 = 50131889   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50131889 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-] Show InChI InChI=1S/C34H35N5O6/c1-23-31(40)26-12-8-13-27(33(26)44-32(23)25-10-4-3-5-11-25)34(41)35-16-9-17-37-18-20-38(21-19-37)29-14-6-7-15-30(29)43-22-28-24(2)39(42)45-36-28/h3-8,10-15H,9,16-22H2,1-2H3,(H,35,41)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50131889 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-] Show InChI InChI=1S/C34H35N5O6/c1-23-31(40)26-12-8-13-27(33(26)44-32(23)25-10-4-3-5-11-25)34(41)35-16-9-17-37-18-20-38(21-19-37)29-14-6-7-15-30(29)43-22-28-24(2)39(42)45-36-28/h3-8,10-15H,9,16-22H2,1-2H3,(H,35,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50131889 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-] Show InChI InChI=1S/C34H35N5O6/c1-23-31(40)26-12-8-13-27(33(26)44-32(23)25-10-4-3-5-11-25)34(41)35-16-9-17-37-18-20-38(21-19-37)29-14-6-7-15-30(29)43-22-28-24(2)39(42)45-36-28/h3-8,10-15H,9,16-22H2,1-2H3,(H,35,41)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	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))	BDBM50131889 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-] Show InChI InChI=1S/C34H35N5O6/c1-23-31(40)26-12-8-13-27(33(26)44-32(23)25-10-4-3-5-11-25)34(41)35-16-9-17-37-18-20-38(21-19-37)29-14-6-7-15-30(29)43-22-28-24(2)39(42)45-36-28/h3-8,10-15H,9,16-22H2,1-2H3,(H,35,41)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	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