BDBM50030624 2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicarboxylic acid 3-[3-(4,4-diphenyl-piperidin-1-yl)-propyl] ester 5-methyl ester::CHEMBL123769

SMILES: COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=BXERZGFRIILESM-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50030624   

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))	BDBM50030624 (2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C36H37N3O6/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/h4-9,11-18H,10,19-24H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to human Alpha-1A adrenergic receptor expressed in CHO cells				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50030624 (2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C36H37N3O6/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/h4-9,11-18H,10,19-24H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to human Alpha-1B adrenergic receptor expressed in CHO cells				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Calcium channel (RAT)	BDBM50030624 (2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C36H37N3O6/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/h4-9,11-18H,10,19-24H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to membrane homogenates of of rat cardiac muscle.				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50030624 (2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C36H37N3O6/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/h4-9,11-18H,10,19-24H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to human Alpha-1D adrenergic receptor expressed in CHO cells				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50030624 (2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C36H37N3O6/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/h4-9,11-18H,10,19-24H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	758	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptor				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50030624 (2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C36H37N3O6/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/h4-9,11-18H,10,19-24H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2A adrenergic receptor				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50030624 (2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...) Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C36H37N3O6/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/h4-9,11-18H,10,19-24H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]rauwolscine to CHO cells expressing the human Alpha-2C adrenergic receptor				J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4
					More data for this Ligand-Target Pair