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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily M member 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens)
BDBM50446561
PNG
(CHEMBL3110215)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1
Show InChI InChI=1S/C21H27N5O14P2/c22-17-12-19(24-8-23-17)26(18(25-12)9-4-2-1-3-5-9)20-15(29)13(27)10(38-20)6-36-41(32,33)40-42(34,35)37-7-11-14(28)16(30)21(31)39-11/h1-5,8,10-11,13-16,20-21,27-31H,6-7H2,(H,32,33)(H,34,35)(H2,22,23,24)/t10-,11-,13-,14-,15-,16-,20-,21?/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by wh...


J Med Chem 56: 10079-102 (2013)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens)
BDBM50446559
PNG
(CHEMBL3110213)
Show SMILES CC(=O)c1cccc(c1)-c1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H29N5O15P2/c1-9(29)10-3-2-4-11(5-10)20-27-14-19(24)25-8-26-21(14)28(20)22-17(32)15(30)12(41-22)6-39-44(35,36)43-45(37,38)40-7-13-16(31)18(33)23(34)42-13/h2-5,8,12-13,15-18,22-23,30-34H,6-7H2,1H3,(H,35,36)(H,37,38)(H2,24,25,26)/t12-,13-,15-,16-,17-,18-,22-,23?/m1/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by wh...


J Med Chem 56: 10079-102 (2013)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens)
BDBM50446560
PNG
(CHEMBL3110214)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c(nc12)-c1ccsc1
Show InChI InChI=1S/C19H25N5O14P2S/c20-15-10-17(22-6-21-15)24(16(23-10)7-1-2-41-5-7)18-13(27)11(25)8(36-18)3-34-39(30,31)38-40(32,33)35-4-9-12(26)14(28)19(29)37-9/h1-2,5-6,8-9,11-14,18-19,25-29H,3-4H2,(H,30,31)(H,32,33)(H2,20,21,22)/t8-,9-,11-,12-,13-,14-,18-,19?/m1/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by wh...


J Med Chem 56: 10079-102 (2013)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens)
BDBM50446558
PNG
(CHEMBL3110195)
Show SMILES Nc1ncnc2n(CCCCOP(O)(=O)OP(O)(=O)OC[C@H]3OC(O)[C@H](O)[C@@H]3O)cnc12
Show InChI InChI=1S/C14H23N5O11P2/c15-12-9-13(17-6-16-12)19(7-18-9)3-1-2-4-27-31(23,24)30-32(25,26)28-5-8-10(20)11(21)14(22)29-8/h6-8,10-11,14,20-22H,1-5H2,(H,23,24)(H,25,26)(H2,15,16,17)/t8-,10-,11-,14?/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by wh...


J Med Chem 56: 10079-102 (2013)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens)
BDBM50324670
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by wh...


J Med Chem 56: 10079-102 (2013)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens)
BDBM50446557
PNG
(CHEMBL3110204)
Show SMILES NC(Cc1ccc(cc1)-c1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C19H23N6O9P/c20-10(19(28)29)5-8-1-3-9(4-2-8)16-24-12-15(21)22-7-23-17(12)25(16)18-14(27)13(26)11(34-18)6-33-35(30,31)32/h1-4,7,10-11,13-14,18,26-27H,5-6,20H2,(H,28,29)(H2,21,22,23)(H2,30,31,32)/t10?,11-,13-,14-,18-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by wh...


J Med Chem 56: 10079-102 (2013)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens)
BDBM50446562
PNG
(CHEMBL3110216)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c(Br)nc12
Show InChI InChI=1S/C15H22BrN5O14P2/c16-15-20-6-11(17)18-3-19-12(6)21(15)13-9(24)7(22)4(33-13)1-31-36(27,28)35-37(29,30)32-2-5-8(23)10(25)14(26)34-5/h3-5,7-10,13-14,22-26H,1-2H2,(H,27,28)(H,29,30)(H2,17,18,19)/t4-,5-,7-,8-,9-,10-,13-,14?/m1/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by wh...


J Med Chem 56: 10079-102 (2013)

More data for this
Ligand-Target Pair