BDBM50068818 1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyl]-amino}-propyl)-4-phenyl-piperidine-4-carboxylic acid methyl ester::CHEMBL147077

SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=AGNYFINNIVFBHA-UHFFFAOYSA-N

Data  14 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50068818   

TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi:  2.42nMAssay Description:Binding affinity was determined for the alpha-1A adrenergic receptorMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi:  4nMAssay Description:Binding affinity to Homo sapiens (human) alpha1A adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi:  427nMAssay Description:Binding affinity of the compound was determined for recombinant human 5-hydroxytryptamine 1A receptor using [3H]-5-HT as radioligand.More data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi:  491nMAssay Description:Binding affinity of the compound was determined for recombinant human Histamine H1 receptor using [3H]-pyrilamine as radioligand.More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi:  607nMAssay Description:Binding affinity was determined for the alpha-1A adrenergic receptorMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi:  760nMAssay Description:Binding affinity of the compound was determined for recombinant human Alpha-2A adrenergic receptor using [3H]-rauwolscine as radioligand.More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi:  1.28E+3nMAssay Description:Binding affinity of the compound was determined for recombinant human Alpha-2B adrenergic receptor using [3H]-rauwolscine as radioligand.More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi:  2.24E+3nMAssay Description:Binding affinity of the compound was determined for recombinant human Alpha-2C adrenergic receptor using [3H]-rauwolscine as radioligand.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi:  2.65E+3nMAssay Description:Binding affinity of the compound was determined for recombinant human 5-hydroxytryptamine 1B receptor using [3H]-5-HT as radioligand.More data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi:  3.66E+3nMAssay Description:Binding affinity was determined for the alpha-1B adrenergic receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi: >5.00E+3nMAssay Description:Binding affinity of the compound was determined for recombinant human 5-hydroxytryptamine 1D receptor using [3H]-5-HT as radioligand.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi:  8.84E+3nMAssay Description:Binding affinity was determined for the alpha-1D adrenergic receptorMore data for this Ligand-Target Pair
TargetHistamine H2 receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity of the compound was determined for recombinant human Histamine H2 receptor using [3H]-tiotidine as radioligand.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50068818(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
Affinity DataKi: >3.00E+4nMAssay Description:Binding affinity of the compound was determined for recombinant human 5-hydroxytryptamine 2A receptor using [3H]-5-HT as radioligand.More data for this Ligand-Target Pair