BDBM50068820 2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-{[3-(4-dimethylaminomethyl-4-phenyl-piperidin-1-yl)-propyl]-amide} 5-methylamide::CHEMBL356923

SMILES: CNC(=O)C1C(C(C(=O)NCCCN2CCC(CN(C)C)(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=FLMNWZVJMDRXAF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50068820   

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))	BDBM50068820 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CN(C)C)(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30| Show InChI InChI=1S/C33H44N6O4/c1-23-28(31(40)34-3)30(25-12-14-27(15-13-25)39(42)43)29(24(2)36-23)32(41)35-18-9-19-38-20-16-33(17-21-38,22-37(4)5)26-10-7-6-8-11-26/h6-8,10-15,28,30H,9,16-22H2,1-5H3,(H,34,40)(H,35,41)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity was determined for the alpha-1A adrenergic receptor				J Med Chem 41: 5320-33 (1999) Article DOI: 10.1021/jm980506g BindingDB Entry DOI: 10.7270/Q2R78DCS
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50068820 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CN(C)C)(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30| Show InChI InChI=1S/C33H44N6O4/c1-23-28(31(40)34-3)30(25-12-14-27(15-13-25)39(42)43)29(24(2)36-23)32(41)35-18-9-19-38-20-16-33(17-21-38,22-37(4)5)26-10-7-6-8-11-26/h6-8,10-15,28,30H,9,16-22H2,1-5H3,(H,34,40)(H,35,41)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity was determined for the alpha-1B adrenergic receptor				J Med Chem 41: 5320-33 (1999) Article DOI: 10.1021/jm980506g BindingDB Entry DOI: 10.7270/Q2R78DCS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50068820 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CN(C)C)(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30| Show InChI InChI=1S/C33H44N6O4/c1-23-28(31(40)34-3)30(25-12-14-27(15-13-25)39(42)43)29(24(2)36-23)32(41)35-18-9-19-38-20-16-33(17-21-38,22-37(4)5)26-10-7-6-8-11-26/h6-8,10-15,28,30H,9,16-22H2,1-5H3,(H,34,40)(H,35,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity was determined for the alpha-1D adrenergic receptor				J Med Chem 41: 5320-33 (1999) Article DOI: 10.1021/jm980506g BindingDB Entry DOI: 10.7270/Q2R78DCS
					More data for this Ligand-Target Pair