BDBM50081829 2-(3-Amino-propyl)-6-methyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 5-amide 3-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide}::CHEMBL95736

SMILES: CC1=NC(CCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=FTEANBXSHLNIRR-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 = 50081829   

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))	BDBM50081829 (2-(3-Amino-propyl)-6-methyl-4-(4-nitro-phenyl)-1,4...) Show SMILES CC1=NC(CCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:1| Show InChI InChI=1S/C37H44N6O4/c1-26-32(35(39)44)33(27-15-17-30(18-16-27)43(46)47)34(31(41-26)14-8-21-38)36(45)40-22-9-23-42-24-19-37(20-25-42,28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-7,10-13,15-18,32-33H,8-9,14,19-25,38H2,1H3,(H2,39,44)(H,40,45)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	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 against human Alpha-1a adrenergic receptor				Bioorg Med Chem Lett 9: 2843-8 (1999) BindingDB Entry DOI: 10.7270/Q2NK3FJ2
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50081829 (2-(3-Amino-propyl)-6-methyl-4-(4-nitro-phenyl)-1,4...) Show SMILES CC1=NC(CCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:1| Show InChI InChI=1S/C37H44N6O4/c1-26-32(35(39)44)33(27-15-17-30(18-16-27)43(46)47)34(31(41-26)14-8-21-38)36(45)40-22-9-23-42-24-19-37(20-25-42,28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-7,10-13,15-18,32-33H,8-9,14,19-25,38H2,1H3,(H2,39,44)(H,40,45)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	181	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 against human Alpha-1b adrenergic receptor				Bioorg Med Chem Lett 9: 2843-8 (1999) BindingDB Entry DOI: 10.7270/Q2NK3FJ2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50081829 (2-(3-Amino-propyl)-6-methyl-4-(4-nitro-phenyl)-1,4...) Show SMILES CC1=NC(CCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:1| Show InChI InChI=1S/C37H44N6O4/c1-26-32(35(39)44)33(27-15-17-30(18-16-27)43(46)47)34(31(41-26)14-8-21-38)36(45)40-22-9-23-42-24-19-37(20-25-42,28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-7,10-13,15-18,32-33H,8-9,14,19-25,38H2,1H3,(H2,39,44)(H,40,45)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	433	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 against human Alpha-1d adrenergic receptor				Bioorg Med Chem Lett 9: 2843-8 (1999) BindingDB Entry DOI: 10.7270/Q2NK3FJ2
					More data for this Ligand-Target Pair