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BDBM50030613 2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicarboxylic acid 3-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide} 5-methylamide::CHEMBL125294

SMILES: CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=HCBLAAMIRQXAHR-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 = 50030613   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50030613
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C36H39N5O4/c1-25-31(34(42)37-3)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-10-22-40-23-19-36(20-24-40,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18H,10,19-24H2,1-3H3,(H,37,42)(H,38,43)
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3.10n/an/an/an/an/an/an/an/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
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50030613
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C36H39N5O4/c1-25-31(34(42)37-3)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-10-22-40-23-19-36(20-24-40,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18H,10,19-24H2,1-3H3,(H,37,42)(H,38,43)
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323n/an/an/an/an/an/an/an/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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50030613
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C36H39N5O4/c1-25-31(34(42)37-3)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-10-22-40-23-19-36(20-24-40,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18H,10,19-24H2,1-3H3,(H,37,42)(H,38,43)
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398n/an/an/an/an/an/an/an/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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50030613
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C36H39N5O4/c1-25-31(34(42)37-3)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-10-22-40-23-19-36(20-24-40,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18H,10,19-24H2,1-3H3,(H,37,42)(H,38,43)
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416n/an/an/an/an/an/an/an/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
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50030613
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C36H39N5O4/c1-25-31(34(42)37-3)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-10-22-40-23-19-36(20-24-40,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18H,10,19-24H2,1-3H3,(H,37,42)(H,38,43)
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616n/an/an/an/an/an/an/an/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))
BDBM50030613
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C36H39N5O4/c1-25-31(34(42)37-3)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-10-22-40-23-19-36(20-24-40,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18H,10,19-24H2,1-3H3,(H,37,42)(H,38,43)
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912n/an/an/an/an/an/an/an/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
Calcium channel


(RAT)
BDBM50030613
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C36H39N5O4/c1-25-31(34(42)37-3)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-10-22-40-23-19-36(20-24-40,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18H,10,19-24H2,1-3H3,(H,37,42)(H,38,43)
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>5.00E+3n/an/an/an/an/an/an/an/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