BDBM50082787 3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-propylcarbamoyl]-6-methyl-4-(4-nitro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL142383

SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1

InChI Key InChIKey=AXXIDQZJAQSNEN-UHFFFAOYSA-N

Data  9 KI

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50082787   

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

Curated by ChEMBL
LigandPNGBDBM50082787(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C30H35N5O8/c1-20-24(26(36)42-2)25(21-10-12-23(13-11-21)35(40)41)34(29(39)32-20)28(38)31-16-7-17-33-18-14-30(15-19-33,27(37)43-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,38)(H,32,39)
Affinity DataKi:  2.10nMAssay Description:In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082787(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C30H35N5O8/c1-20-24(26(36)42-2)25(21-10-12-23(13-11-21)35(40)41)34(29(39)32-20)28(38)31-16-7-17-33-18-14-30(15-19-33,27(37)43-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,38)(H,32,39)
Affinity DataKi:  2.10nMAssay Description:In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082787(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C30H35N5O8/c1-20-24(26(36)42-2)25(21-10-12-23(13-11-21)35(40)41)34(29(39)32-20)28(38)31-16-7-17-33-18-14-30(15-19-33,27(37)43-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,38)(H,32,39)
Affinity DataKi:  2.10nMAssay Description:In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082787(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C30H35N5O8/c1-20-24(26(36)42-2)25(21-10-12-23(13-11-21)35(40)41)34(29(39)32-20)28(38)31-16-7-17-33-18-14-30(15-19-33,27(37)43-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,38)(H,32,39)
Affinity DataKi:  19nMAssay Description:In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082787(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C30H35N5O8/c1-20-24(26(36)42-2)25(21-10-12-23(13-11-21)35(40)41)34(29(39)32-20)28(38)31-16-7-17-33-18-14-30(15-19-33,27(37)43-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,38)(H,32,39)
Affinity DataKi:  28nMAssay Description:In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082787(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C30H35N5O8/c1-20-24(26(36)42-2)25(21-10-12-23(13-11-21)35(40)41)34(29(39)32-20)28(38)31-16-7-17-33-18-14-30(15-19-33,27(37)43-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,38)(H,32,39)
Affinity DataKi:  80nMAssay Description:In vitro binding affinity against Alpha-1D adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082787(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C30H35N5O8/c1-20-24(26(36)42-2)25(21-10-12-23(13-11-21)35(40)41)34(29(39)32-20)28(38)31-16-7-17-33-18-14-30(15-19-33,27(37)43-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,38)(H,32,39)
Affinity DataKi:  81nMAssay Description:In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082787(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C30H35N5O8/c1-20-24(26(36)42-2)25(21-10-12-23(13-11-21)35(40)41)34(29(39)32-20)28(38)31-16-7-17-33-18-14-30(15-19-33,27(37)43-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,38)(H,32,39)
Affinity DataKi:  100nMAssay Description:In vitro binding affinity against Alpha-1D adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082787(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C30H35N5O8/c1-20-24(26(36)42-2)25(21-10-12-23(13-11-21)35(40)41)34(29(39)32-20)28(38)31-16-7-17-33-18-14-30(15-19-33,27(37)43-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,38)(H,32,39)
Affinity DataKi:  180nMAssay Description:In vitro binding affinity against Alpha-1D adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair