BDBM50017268 CHEMBL3287723::US10099993, Compound 96

SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O

InChI Key InChIKey=AOYJKNKRKBOUAP-UHFFFAOYSA-N

Data  2 IC50  6 EC50

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 8 hits for monomerid = 50017268   

TargetMetabotropic glutamate receptor 3(Rattus norvegicus (Rat))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50017268(CHEMBL3287723 | US10099993, Compound 96)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
Affinity DataEC50:  151nMAssay Description:Positive allosteric modulation of rat mGluR3 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated...More data for this Ligand-Target Pair
TargetHistamine H2 receptor(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50017268(CHEMBL3287723 | US10099993, Compound 96)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to human histamine H2 receptor at 10 uM by radioligand displacement assayMore data for this Ligand-Target Pair
TargetHistamine H4 receptor(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50017268(CHEMBL3287723 | US10099993, Compound 96)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to human histamine H4 receptor at 10 uM by radioligand displacement assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 3(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

US Patent
LigandPNGBDBM50017268(CHEMBL3287723 | US10099993, Compound 96)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
Affinity DataEC50:  1.07E+3nMMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 2(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

US Patent
LigandPNGBDBM50017268(CHEMBL3287723 | US10099993, Compound 96)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
Affinity DataEC50:  184nMpH: 7.3 T: 2°CAssay Description:Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 3(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

US Patent
LigandPNGBDBM50017268(CHEMBL3287723 | US10099993, Compound 96)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
Affinity DataEC50:  151nMMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 2(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

US Patent
LigandPNGBDBM50017268(CHEMBL3287723 | US10099993, Compound 96)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
Affinity DataEC50:  955nMpH: 7.3 T: 2°CAssay Description:Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 2(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

US Patent
LigandPNGBDBM50017268(CHEMBL3287723 | US10099993, Compound 96)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
Affinity DataEC50:  184nMAssay Description:Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated...More data for this Ligand-Target Pair