BDBM50034681 2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-[3-(4,4-diphenyl-piperidin-1-yl)-propyl] ester 5-methyl ester::CHEMBL290860

SMILES: COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=ISZKYBBFFMQCLL-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 = 50034681   

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))	BDBM50034681 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-15-17-30(18-16-27)39(42)43)32(26(2)37-25)35(41)45-24-10-21-38-22-19-36(20-23-38,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,33,41H,10,19-24H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from cloned human Alpha-1A adrenergic receptor				J Med Chem 38: 1579-81 (1995) BindingDB Entry DOI: 10.7270/Q25Q4WRJ
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50034681 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-15-17-30(18-16-27)39(42)43)32(26(2)37-25)35(41)45-24-10-21-38-22-19-36(20-23-38,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,33,41H,10,19-24H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from cloned human Alpha-1B adrenergic receptor				J Med Chem 38: 1579-81 (1995) BindingDB Entry DOI: 10.7270/Q25Q4WRJ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50034681 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-15-17-30(18-16-27)39(42)43)32(26(2)37-25)35(41)45-24-10-21-38-22-19-36(20-23-38,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,33,41H,10,19-24H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from cloned human Alpha-1D adrenergic receptor				J Med Chem 38: 1579-81 (1995) BindingDB Entry DOI: 10.7270/Q25Q4WRJ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50034681 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-15-17-30(18-16-27)39(42)43)32(26(2)37-25)35(41)45-24-10-21-38-22-19-36(20-23-38,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,33,41H,10,19-24H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Ability to displace [3H]rauwolscine from cloned human Alpha-2C adrenergic receptor				J Med Chem 38: 1579-81 (1995) BindingDB Entry DOI: 10.7270/Q25Q4WRJ
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50034681 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-15-17-30(18-16-27)39(42)43)32(26(2)37-25)35(41)45-24-10-21-38-22-19-36(20-23-38,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,33,41H,10,19-24H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Ability to displace [3H]rauwolscine from cloned human Alpha-2B adrenergic receptor				J Med Chem 38: 1579-81 (1995) BindingDB Entry DOI: 10.7270/Q25Q4WRJ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50034681 (2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-15-17-30(18-16-27)39(42)43)32(26(2)37-25)35(41)45-24-10-21-38-22-19-36(20-23-38,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,33,41H,10,19-24H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Ability to displace [3H]rauwolscine from cloned human Alpha-2A adrenergic receptor				J Med Chem 38: 1579-81 (1995) BindingDB Entry DOI: 10.7270/Q25Q4WRJ
					More data for this Ligand-Target Pair