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8 similar compounds to monomer 50267295

Compile data set for download or QSAR
Wt: 358.4
BDBM50267417
Wt: 316.3
BDBM50267418
Wt: 398.4
BDBM50267287
Wt: 435.3
BDBM50267288
Wt: 459.9
BDBM50267289
Wt: 523.6
BDBM50267290
Wt: 523.6
BDBM50267294
Wt: 525.6
BDBM50267296

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50267417,50267418,50267287,50267288,50267289,50267290,50267294,50267296   
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 5


(Homo sapiens (Human))
BDBM50267289
PNG
(CHEMBL4072908)
Show SMILES OCC1CCN(CC1)c1c(cnc2cc(Cl)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C22H19ClFN3O3S/c23-16-1-2-19-20(9-16)26-12-21(22(19)27-5-3-14(13-28)4-6-27)31(29,30)18-8-15(11-25)7-17(24)10-18/h1-2,7-10,12,14,28H,3-6,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
24n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 (unknown origin) measured after 60 mins


Eur J Med Chem 133: 240-254 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50267287
PNG
(CHEMBL4095476)
Show SMILES CC1CCN(CC1)c1c(cnc2ccc(C)cc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C22H23FN2O2S/c1-15-8-10-25(11-9-15)22-19-12-16(2)6-7-20(19)24-14-21(22)28(26,27)18-5-3-4-17(23)13-18/h3-7,12-15H,8-11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
103n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 (unknown origin) measured after 60 mins


Eur J Med Chem 133: 240-254 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50267288
PNG
(CHEMBL4068094)
Show SMILES CC1CCN(CC1)c1c(cnc2ccc(Cl)cc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-14-8-10-25(11-9-14)21-18-12-16(23)4-7-19(18)24-13-20(21)28(26,27)17-5-2-15(22)3-6-17/h2-7,12-14H,8-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
435n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 (unknown origin) measured after 60 mins


Eur J Med Chem 133: 240-254 (2017)

More data for this
Ligand-Target Pair
VIM-2


(Pseudomonas aeruginosa)
BDBM50267418
PNG
(CHEMBL4090938)
Show SMILES CC(=O)SCC(CCCCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C14H21O4PS/c1-12(15)20-11-14(19(16,17)18)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H2,16,17,18)
PDB

GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 6His-tagged VIM-2 (V27 to E268 residues) expressed in Escherichia coli BL21 Star(DE3) pLysS using nitro...


Eur J Med Chem 135: 159-173 (2017)

More data for this
Ligand-Target Pair
GIM-1


(Pseudomonas aeruginosa)
BDBM50267418
PNG
(CHEMBL4090938)
Show SMILES CC(=O)SCC(CCCCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C14H21O4PS/c1-12(15)20-11-14(19(16,17)18)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H2,16,17,18)
PDB

GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

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PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 6His-tagged GIM-1 (Q19 to D250 residues) expressed in Escherichia coli BL21 Star(DE3) pLysS using nitrocefin as ...


Eur J Med Chem 135: 159-173 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50267296
PNG
(CHEMBL4104658)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C30H35N7O2/c1-6-28(38)32-24-17-25(27(39-5)18-26(24)36(4)16-15-35(2)3)34-30-31-13-12-23(33-30)22-19-37-14-8-10-20-9-7-11-21(22)29(20)37/h6-7,9,11-13,17-19H,1,8,10,14-16H2,2-5H3,(H,32,38)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 22n/an/an/an/an/an/a



Nanjing Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytoplasmic GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubated fo...


Eur J Med Chem 135: 12-23 (2017)

More data for this
Ligand-Target Pair
GIM-1


(Pseudomonas aeruginosa)
BDBM50267417
PNG
(CHEMBL4095160)
Show SMILES CCOP(=O)(OCC)C(CCCc1ccccc1)CSC(C)=O
Show InChI InChI=1S/C17H27O4PS/c1-4-20-22(19,21-5-2)17(14-23-15(3)18)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,17H,4-5,9,12-14H2,1-3H3
PDB

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 6His-tagged GIM-1 (Q19 to D250 residues) expressed in Escherichia coli BL21 Star(DE3) pLysS using nitrocefin as ...


Eur J Med Chem 135: 159-173 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50267290
PNG
(CHEMBL4099445)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C30H33N7O2/c1-4-28(38)32-24-17-25(27(39-3)18-26(24)36-15-13-35(2)14-16-36)34-30-31-11-10-23(33-30)22-19-37-12-6-8-20-7-5-9-21(22)29(20)37/h4-5,7,9-11,17-19H,1,6,8,12-16H2,2-3H3,(H,32,38)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 877n/an/an/an/an/an/a



Nanjing Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytoplasmic GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubated fo...


Eur J Med Chem 135: 12-23 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50267294
PNG
(CHEMBL4097141)
Show SMILES COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C30H33N7O2/c1-5-28(38)32-24-14-25(27(39-4)15-26(24)37-16-20(17-37)35(2)3)34-30-31-12-11-23(33-30)22-18-36-13-7-9-19-8-6-10-21(22)29(19)36/h5-6,8,10-12,14-15,18,20H,1,7,9,13,16-17H2,2-4H3,(H,32,38)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 64n/an/an/an/an/an/a



Nanjing Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytoplasmic GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubated fo...


Eur J Med Chem 135: 12-23 (2017)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50267296
PNG
(CHEMBL4104658)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C30H35N7O2/c1-6-28(38)32-24-17-25(27(39-5)18-26(24)36(4)16-15-35(2)3)34-30-31-13-12-23(33-30)22-19-37-14-8-10-20-9-7-11-21(22)29(20)37/h6-7,9,11-13,17-19H,1,8,10,14-16H2,2-5H3,(H,32,38)(H,31,33,34)
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.46E+3n/an/an/an/an/an/a



Nanjing Normal University

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by lonWorks Quattro analysis


Eur J Med Chem 135: 12-23 (2017)

More data for this
Ligand-Target Pair
VIM-2


(Pseudomonas aeruginosa)
BDBM50267417
PNG
(CHEMBL4095160)
Show SMILES CCOP(=O)(OCC)C(CCCc1ccccc1)CSC(C)=O
Show InChI InChI=1S/C17H27O4PS/c1-4-20-22(19,21-5-2)17(14-23-15(3)18)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,17H,4-5,9,12-14H2,1-3H3
PDB

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 6His-tagged VIM-2 (V27 to E268 residues) expressed in Escherichia coli BL21 Star(DE3) pLysS using nitro...


Eur J Med Chem 135: 159-173 (2017)

More data for this
Ligand-Target Pair