BDBM50160146 2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-amide 5-{[4-(4,4-diphenyl-piperidin-1-yl)-butyl]-amide}::CHEMBL180561

SMILES: CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=SQEOIKNCNRHYGE-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50160146   

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))	BDBM50160146 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	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-1A adrenergic receptor (Homo sapiens (Human))	BDBM50160146 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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-2C adrenergic receptor (Homo sapiens (Human))	BDBM50160146 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	324	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))	BDBM50160146 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	367	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))	BDBM50160146 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	369	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))	BDBM50160146 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	398	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))	BDBM50160146 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	420	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
Calcium channel (RAT)	BDBM50160146 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+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 rat L-type calcium channel				Bioorg Med Chem Lett 9: 2843-8 (1999) BindingDB Entry DOI: 10.7270/Q2NK3FJ2
					More data for this Ligand-Target Pair