BDBM50068828 2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-amide 5-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide}::CHEMBL279436

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

InChI Key: InChIKey=JWIXQLYEPDLLJM-UHFFFAOYSA-N

Data: 25 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 25 hits for monomerid = 50068828   

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))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Homo sapiens (human) alpha1A adrenergic receptor				Citation and Details Article DOI: 10.1007/s00044-004-0120-9 BindingDB Entry DOI: 10.7270/Q251424N
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]prazosin from alpha-1A adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.87	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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Homo sapiens (human) alpha1A adrenergic receptor				Citation and Details Article DOI: 10.1007/s00044-004-0120-9 BindingDB Entry DOI: 10.7270/Q251424N
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]prazosin from alpha-1A adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]prazosin from alpha-1A adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Homo sapiens (human) alpha1A adrenergic receptor				Citation and Details Article DOI: 10.1007/s00044-004-0120-9 BindingDB Entry DOI: 10.7270/Q251424N
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]rauwolscine from alpha-2A adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity assayed by displacement of [3H]rauwolscine from human alpha-2C adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]prazosin from alpha-1D adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]rauwolscine from alpha-2B adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity assayed by displacement of [3H]rauwolscine from human alpha-2C adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]rauwolscine from alpha-2A adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity assayed by displacement of [3H]rauwolscine from human alpha-2C adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	330	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
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]prazosin from alpha-1B adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]prazosin from alpha-1B adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]rauwolscine from alpha-2A adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]prazosin from alpha-1D adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]rauwolscine from alpha-2B adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]rauwolscine from alpha-2B adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]prazosin from alpha-1B adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	600	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
Adrenergic receptor (Homo sapiens (Human))	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity determined by displacement of [3H]prazosin from alpha-1D adrenergic receptor				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50068828 (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)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Medical Center Curated by ChEMBL					Assay Description Binding affinity at the L-type [Ca2+] channel from rat brain homogenate by [3H]nitrendipine displacement.				J Med Chem 41: 2643-50 (1998) Article DOI: 10.1021/jm980077m BindingDB Entry DOI: 10.7270/Q24170TM
					More data for this Ligand-Target Pair