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31 similar compounds to monomer 50101814

Compile data set for download or QSAR
Wt: 716.8
BDBM50044111
Wt: 472.6
BDBM50044112
Wt: 514.7
BDBM50044113
Wt: 472.6
BDBM50044115
Wt: 459.5
BDBM50101805
Wt: 595.6
BDBM50101807
Wt: 473.4
BDBM50101791
Wt: 455.4
BDBM50101792
Wt: 442.3
BDBM50101793
Wt: 470.4
BDBM50101794
Wt: 470.4
BDBM50101796
Wt: 469.4
BDBM50101798
Wt: 469.4
BDBM50101799
Wt: 469.4
BDBM50101800
Wt: 435.9
BDBM50101801
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50044111,50044112,50044113,50044115,50101805,50101807,50101791,50101792,50101793,50101794,50101796,50101798,50101799,50101800,50101801   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50044111
PNG
(CHEBI:2625 | CHEMBL3325767)
Show SMILES COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3[C@H]2[C@]2(CCO[C@H]2[C@@]24C[C@@H]5C[C@]67CCO[C@H]6CCN6CC[C@]8([C@H]76)c6cccc(OC)c6N(C2)[C@@]58O[C@@H]34)C1
Show InChI InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43+/m0/s1
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n/an/an/an/a 2.60E+4n/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in T-REx HEK cells assessed as increase in intracellular Ca2+ accumulation by Fluo-4 AM dye based fluoresce...


J Nat Prod 77: 1831-8 (2014)


Article DOI: 10.1021/np500235b
BindingDB Entry DOI: 10.7270/Q27S7QDF
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50101798
PNG
(CHEMBL3394936)
Show SMILES CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cccc(c12)C(F)(F)F
Show InChI InChI=1S/C24H22F3N5O2/c1-3-29-12-16(17-5-4-6-18(21(17)29)24(25,26)27)13-30-9-10-32-20(22(30)33)8-7-19(23(32)34)31-11-15(2)28-14-31/h4-8,11-12,14H,3,9-10,13H2,1-2H3
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in CHO cells overexpressing human wild type APP assessed as reduction of amyloid beta 42 lev...


Bioorg Med Chem Lett 25: 908-13 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.059
BindingDB Entry DOI: 10.7270/Q2QV3P8R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50044112
PNG
(CHEMBL3331550)
Show SMILES CC(=C)[C@@H]1CC[C@@H]2[C@@]3(C[C@]13CCC(O)=O)CC[C@]1(C)[C@H](CC[C@@]21C)[C@H]1CC[C@@H](OC1)C(C)(C)O
Show InChI InChI=1S/C30H48O4/c1-19(2)21-8-9-23-28(6)13-11-22(20-7-10-24(34-17-20)26(3,4)33)27(28,5)15-16-30(23)18-29(21,30)14-12-25(31)32/h20-24,33H,1,7-18H2,2-6H3,(H,31,32)/t20-,21-,22+,23-,24+,27+,28-,29+,30-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol by scintillation proximity assay


J Nat Prod 77: 1910-20 (2014)


Article DOI: 10.1021/np500379f
BindingDB Entry DOI: 10.7270/Q2416ZP1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50044113
PNG
(CHEMBL3331554)
Show SMILES CC(=O)OC[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
Show InChI InChI=1S/C32H50O5/c1-21(2)24-10-11-26-30(7)15-12-25(23(19-37-22(3)33)9-8-14-28(4,5)36)29(30,6)17-18-32(26)20-31(24,32)16-13-27(34)35/h8,14,23-26,36H,1,9-13,15-20H2,2-7H3,(H,34,35)/b14-8+/t23-,24-,25+,26-,29+,30-,31+,32-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol by scintillation proximity assay


J Nat Prod 77: 1910-20 (2014)


Article DOI: 10.1021/np500379f
BindingDB Entry DOI: 10.7270/Q2416ZP1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50044115
PNG
(CHEMBL3331556)
Show SMILES CC(=C)[C@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
Show InChI InChI=1S/C30H48O4/c1-19(2)22-8-10-25-28(6)13-11-23(21(17-31)7-9-24(32)20(3)4)27(28,5)15-16-30(25)18-29(22,30)14-12-26(33)34/h21-25,31-32H,1,3,7-18H2,2,4-6H3,(H,33,34)/t21-,22-,23+,24+,25-,27+,28-,29+,30-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol by scintillation proximity assay


J Nat Prod 77: 1910-20 (2014)


Article DOI: 10.1021/np500379f
BindingDB Entry DOI: 10.7270/Q2416ZP1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50044112
PNG
(CHEMBL3331550)
Show SMILES CC(=C)[C@@H]1CC[C@@H]2[C@@]3(C[C@]13CCC(O)=O)CC[C@]1(C)[C@H](CC[C@@]21C)[C@H]1CC[C@@H](OC1)C(C)(C)O
Show InChI InChI=1S/C30H48O4/c1-19(2)21-8-9-23-28(6)13-11-22(20-7-10-24(34-17-20)26(3,4)33)27(28,5)15-16-30(23)18-29(21,30)14-12-25(31)32/h20-24,33H,1,7-18H2,2-6H3,(H,31,32)/t20-,21-,22+,23-,24+,27+,28-,29+,30-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol by scintillation proximity assay


J Nat Prod 77: 1910-20 (2014)


Article DOI: 10.1021/np500379f
BindingDB Entry DOI: 10.7270/Q2416ZP1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50044113
PNG
(CHEMBL3331554)
Show SMILES CC(=O)OC[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
Show InChI InChI=1S/C32H50O5/c1-21(2)24-10-11-26-30(7)15-12-25(23(19-37-22(3)33)9-8-14-28(4,5)36)29(30,6)17-18-32(26)20-31(24,32)16-13-27(34)35/h8,14,23-26,36H,1,9-13,15-20H2,2-7H3,(H,34,35)/b14-8+/t23-,24-,25+,26-,29+,30-,31+,32-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol by scintillation proximity assay


J Nat Prod 77: 1910-20 (2014)


Article DOI: 10.1021/np500379f
BindingDB Entry DOI: 10.7270/Q2416ZP1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50044115
PNG
(CHEMBL3331556)
Show SMILES CC(=C)[C@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
Show InChI InChI=1S/C30H48O4/c1-19(2)22-8-10-25-28(6)13-11-23(21(17-31)7-9-24(32)20(3)4)27(28,5)15-16-30(25)18-29(22,30)14-12-26(33)34/h21-25,31-32H,1,3,7-18H2,2,4-6H3,(H,33,34)/t21-,22-,23+,24+,25-,27+,28-,29+,30-/m0/s1
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n/an/a 990n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol by scintillation proximity assay


J Nat Prod 77: 1910-20 (2014)


Article DOI: 10.1021/np500379f
BindingDB Entry DOI: 10.7270/Q2416ZP1
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50101793
PNG
(CHEMBL3394941)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(Cc3cnn4ccc(cc34)C(F)(F)F)CCn2c1=O
Show InChI InChI=1S/C21H17F3N6O2/c1-13-10-28(12-25-13)16-2-3-17-19(31)27(6-7-29(17)20(16)32)11-14-9-26-30-5-4-15(8-18(14)30)21(22,23)24/h2-5,8-10,12H,6-7,11H2,1H3
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n/an/a 605n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in CHO cells overexpressing human wild type APP assessed as reduction of amyloid beta 42 lev...


Bioorg Med Chem Lett 25: 908-13 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.059
BindingDB Entry DOI: 10.7270/Q2QV3P8R
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50101792
PNG
(CHEMBL3394942)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(Cc3cn(C)c4ccc(cc34)C(F)(F)F)CCn2c1=O
Show InChI InChI=1S/C23H20F3N5O2/c1-14-10-30(13-27-14)19-5-6-20-21(32)29(7-8-31(20)22(19)33)12-15-11-28(2)18-4-3-16(9-17(15)18)23(24,25)26/h3-6,9-11,13H,7-8,12H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in CHO cells overexpressing human wild type APP assessed as reduction of amyloid beta 42 lev...


Bioorg Med Chem Lett 25: 908-13 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.059
BindingDB Entry DOI: 10.7270/Q2QV3P8R
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50101791
PNG
(CHEMBL3394943)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(Cc3cn(C)c4ccc(c(F)c34)C(F)(F)F)CCn2c1=O
Show InChI InChI=1S/C23H19F4N5O2/c1-13-9-31(12-28-13)17-5-6-18-21(33)30(7-8-32(18)22(17)34)11-14-10-29(2)16-4-3-15(23(25,26)27)20(24)19(14)16/h3-6,9-10,12H,7-8,11H2,1-2H3
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n/an/a 35n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in CHO cells overexpressing human wild type APP assessed as reduction of amyloid beta 42 lev...


Bioorg Med Chem Lett 25: 908-13 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.059
BindingDB Entry DOI: 10.7270/Q2QV3P8R
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50101801
PNG
(CHEMBL3394933)
Show SMILES CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H22ClN5O2/c1-3-26-12-16(18-10-17(24)4-5-19(18)26)13-27-8-9-29-21(22(27)30)7-6-20(23(29)31)28-11-15(2)25-14-28/h4-7,10-12,14H,3,8-9,13H2,1-2H3
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n/an/a 38n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in CHO cells overexpressing human wild type APP assessed as reduction of amyloid beta 42 lev...


Bioorg Med Chem Lett 25: 908-13 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.059
BindingDB Entry DOI: 10.7270/Q2QV3P8R
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50101794
PNG
(CHEMBL3394940)
Show SMILES CCn1nc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N6O2/c1-3-32-18-5-4-15(23(24,25)26)10-16(18)17(28-32)12-29-8-9-31-20(21(29)33)7-6-19(22(31)34)30-11-14(2)27-13-30/h4-7,10-11,13H,3,8-9,12H2,1-2H3
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n/an/a 142n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in CHO cells overexpressing human wild type APP assessed as reduction of amyloid beta 42 lev...


Bioorg Med Chem Lett 25: 908-13 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.059
BindingDB Entry DOI: 10.7270/Q2QV3P8R
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50101796
PNG
(CHEMBL3394938)
Show SMILES CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(ncc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N6O2/c1-3-29-11-15(16-8-20(23(24,25)26)27-9-19(16)29)12-30-6-7-32-18(21(30)33)5-4-17(22(32)34)31-10-14(2)28-13-31/h4-5,8-11,13H,3,6-7,12H2,1-2H3
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n/an/a 418n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in CHO cells overexpressing human wild type APP assessed as reduction of amyloid beta 42 lev...


Bioorg Med Chem Lett 25: 908-13 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.059
BindingDB Entry DOI: 10.7270/Q2QV3P8R
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101807
PNG
(CHEMBL3398170)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)[C@@]1(O)CCN(CC(N)=O)C[C@@H]1O
Show InChI InChI=1S/C28H33N7O6S/c1-33(42(3,39)40)22-7-5-4-6-20(22)23-11-9-19-15-30-27(32-35(19)23)31-21-10-8-18(14-24(21)41-2)28(38)12-13-34(16-25(28)36)17-26(29)37/h4-11,14-15,25,36,38H,12-13,16-17H2,1-3H3,(H2,29,37)(H,31,32)/t25-,28-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R & D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101805
PNG
(CHEMBL3398172)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C)CC1O
Show InChI InChI=1S/C26H29N5O3/c1-30-13-12-19(23(32)16-30)17-8-10-21(25(14-17)34-3)28-26-27-15-18-9-11-22(31(18)29-26)20-6-4-5-7-24(20)33-2/h4-11,14-15,19,23,32H,12-13,16H2,1-3H3,(H,28,29)
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n/an/a 30n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R & D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101805
PNG
(CHEMBL3398172)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C)CC1O
Show InChI InChI=1S/C26H29N5O3/c1-30-13-12-19(23(32)16-30)17-8-10-21(25(14-17)34-3)28-26-27-15-18-9-11-22(31(18)29-26)20-6-4-5-7-24(20)33-2/h4-11,14-15,19,23,32H,12-13,16H2,1-3H3,(H,28,29)
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n/an/a 3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R & D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101807
PNG
(CHEMBL3398170)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)[C@@]1(O)CCN(CC(N)=O)C[C@@H]1O
Show InChI InChI=1S/C28H33N7O6S/c1-33(42(3,39)40)22-7-5-4-6-20(22)23-11-9-19-15-30-27(32-35(19)23)31-21-10-8-18(14-24(21)41-2)28(38)12-13-34(16-25(28)36)17-26(29)37/h4-11,14-15,25,36,38H,12-13,16-17H2,1-3H3,(H2,29,37)(H,31,32)/t25-,28-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R & D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50101800
PNG
(CHEMBL3394934)
Show SMILES CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C24H22F3N5O2/c1-3-29-12-16(18-10-17(24(25,26)27)4-5-19(18)29)13-30-8-9-32-21(22(30)33)7-6-20(23(32)34)31-11-15(2)28-14-31/h4-7,10-12,14H,3,8-9,13H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in CHO cells overexpressing human wild type APP assessed as reduction of amyloid beta 42 lev...


Bioorg Med Chem Lett 25: 908-13 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.059
BindingDB Entry DOI: 10.7270/Q2QV3P8R
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50101799
PNG
(CHEMBL3394935)
Show SMILES CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C24H22F3N5O2/c1-3-29-12-16(18-5-4-17(10-21(18)29)24(25,26)27)13-30-8-9-32-20(22(30)33)7-6-19(23(32)34)31-11-15(2)28-14-31/h4-7,10-12,14H,3,8-9,13H2,1-2H3
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n/an/a 92n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in CHO cells overexpressing human wild type APP assessed as reduction of amyloid beta 42 lev...


Bioorg Med Chem Lett 25: 908-13 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.059
BindingDB Entry DOI: 10.7270/Q2QV3P8R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Mus musculus)
BDBM50044111
PNG
(CHEBI:2625 | CHEMBL3325767)
Show SMILES COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3[C@H]2[C@]2(CCO[C@H]2[C@@]24C[C@@H]5C[C@]67CCO[C@H]6CCN6CC[C@]8([C@H]76)c6cccc(OC)c6N(C2)[C@@]58O[C@@H]34)C1
Show InChI InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Antagonist activity against mouse TRPM8 expressed in T-REx HEK cells assessed as inhibition of menthol-induced increase in intracellular Ca2+ accumul...


J Nat Prod 77: 1831-8 (2014)


Article DOI: 10.1021/np500235b
BindingDB Entry DOI: 10.7270/Q27S7QDF
More data for this
Ligand-Target Pair