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BDBM55094 N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phenyl]picolinamide::N-[3-chloro-4-(2,5-dioxo-3-phenyl-1-pyrrolidinyl)phenyl]-2-pyridinecarboxamide::N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide::N-[4-[2,5-bis(oxidanylidene)-3-phenyl-pyrrolidin-1-yl]-3-chloranyl-phenyl]pyridine-2-carboxamide::VU0400071-3::cid_45110765

SMILES: Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1

InChI Key: InChIKey=OCVJQOGGFDUYFY-UHFFFAOYSA-N

Data: 5 IC50  4 EC50

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 9 hits for monomerid = 55094   
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
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/an/an/a 823n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VT1QHF
More data for this
Ligand-Target Pair
glutamate receptor, metabotropic 4 precursor


(Rattus norvegicus)
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/an/an/a 490n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2DR2SWV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/an/an/a 674n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/an/an/a 491n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at rat mGlu4 receptor by thallium flux assay


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/a 1.76E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using 4-hydroxydiclofenac as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextrophan tartarate as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using 1-hydroxymidazolam as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using acetaminophen as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair