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BDBM50060601 (E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H,3H)-dione::(S)-Pyrrolidine-2-carboxylic acid [(S)-1-(carbamoylmethyl-carbamoyl)-3-methyl-butyl]-amide::6-((E)-3-Oxo-3-phenyl-propenyl)-1H-pyrimidine-2,4-dione::CHEMBL317488::L-pro-L-leu-gly-NH2::L-prolyl-L-leucylglycinamide::Pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-3-methyl-butyl]-amide

SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O

InChI Key: InChIKey=NOOJLZTTWSNHOX-UWVGGRQHSA-N

Data: 15 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 15 hits for monomerid = 50060601   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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PubMed
0.0400n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p (Pre treated with 1 uM) calculated for the high affinity components of the [3H]spiroperidol b...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recept...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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PubMed
0.0900n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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PubMed
0.130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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PubMed
0.130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recep...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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PubMed
60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p (Pre treated with 1 uM) calculated for the high affinity components of the [3H]spiroperidol bi...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
UniProtKB/SwissProt

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Article
PubMed
60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recept...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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PubMed
60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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PubMed
60.1n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of G...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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PubMed
73n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recepto...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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PubMed
73.2n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of G...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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PubMed
78n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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PubMed
78n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Percentage of receptor in the high affinity form for the compound to Dopamine receptor D2 in absence of Gpp(NH)p (pre treated with 1 uM)


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair