BDBM50081823 2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 5-amide 3-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide}::CHEMBL95578

SMILES: CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=UTCOMQXMXQJEDA-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50081823   

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))	BDBM50081823 (2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...) Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2| Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50081823 (2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...) Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2| Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	286	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-2c 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))	BDBM50081823 (2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...) Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2| Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	447	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-2A adrenergic receptor (Homo sapiens (Human))	BDBM50081823 (2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...) Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2| Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	813	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-2a 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))	BDBM50081823 (2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...) Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2| Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	948	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
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50081823 (2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...) Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2| Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.13E+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 against human Alpha-2b adrenergic receptor				Bioorg Med Chem Lett 9: 2843-8 (1999) BindingDB Entry DOI: 10.7270/Q2NK3FJ2
					More data for this Ligand-Target Pair