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Compile Data Set for Download or QSAR

Found 466 hits with Last Name = 'yeh' and Initial = 'v'   
Target/Host
(Institution)
LigandTarget/Host
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
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50193788
PNG
((3s,9s)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wU:16.16,wD:23.27,THB:15:16:20.19.18:24.23.22,25:23:20.19.18:16,(12.85,-27.96,;11.71,-28.98,;10.46,-28.1,;12.95,-29.89,;14.41,-29.43,;14.86,-27.95,;16.36,-27.6,;17.41,-28.73,;18.91,-28.38,;19.35,-26.91,;18.29,-25.79,;16.8,-26.14,;20.85,-26.55,;22.35,-26.2,;12.47,-31.35,;10.93,-31.34,;10.56,-32.84,;9.51,-33.59,;9.55,-35.33,;8.74,-36.36,;10.25,-36.1,;10.25,-34.29,;8.38,-34.27,;8.46,-31.93,;7.83,-33.51,;6.98,-32.34,;5.88,-31.26,;6.59,-33.83,;10.46,-29.89,;9,-29.41,)|
Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20+
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50193788
PNG
((3s,9s)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wU:16.16,wD:23.27,THB:15:16:20.19.18:24.23.22,25:23:20.19.18:16,(12.85,-27.96,;11.71,-28.98,;10.46,-28.1,;12.95,-29.89,;14.41,-29.43,;14.86,-27.95,;16.36,-27.6,;17.41,-28.73,;18.91,-28.38,;19.35,-26.91,;18.29,-25.79,;16.8,-26.14,;20.85,-26.55,;22.35,-26.2,;12.47,-31.35,;10.93,-31.34,;10.56,-32.84,;9.51,-33.59,;9.55,-35.33,;8.74,-36.36,;10.25,-36.1,;10.25,-34.29,;8.38,-34.27,;8.46,-31.93,;7.83,-33.51,;6.98,-32.34,;5.88,-31.26,;6.59,-33.83,;10.46,-29.89,;9,-29.41,)|
Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20+
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29n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50193783
PNG
((1R,7S,8r)-ethyl 4-(4-((5-cyanopyridin-2-yloxy)met...)
Show SMILES CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)N1CC(COc2ccc(cn2)C#N)C(C)(C)C1=O
Show InChI InChI=1S/C24H31N3O4/c1-4-30-22(28)21-18-8-6-17(7-9-19(18)21)27-13-16(24(2,3)23(27)29)14-31-20-10-5-15(11-25)12-26-20/h5,10,12,16-19,21H,4,6-9,13-14H2,1-3H3/t16?,17?,18-,19+,21+
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50n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50193800
PNG
(4-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethyl...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCN(CC2)C(N)=O)C1=O
Show InChI InChI=1S/C20H27N5O3/c1-20(2)15(13-28-17-6-5-14(10-21)11-23-17)12-25(18(20)26)16-4-3-8-24(9-7-16)19(22)27/h5-6,11,15-16H,3-4,7-9,12-13H2,1-2H3,(H2,22,27)
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190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50193800
PNG
(4-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethyl...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCN(CC2)C(N)=O)C1=O
Show InChI InChI=1S/C20H27N5O3/c1-20(2)15(13-28-17-6-5-14(10-21)11-23-17)12-25(18(20)26)16-4-3-8-24(9-7-16)19(22)27/h5-6,11,15-16H,3-4,7-9,12-13H2,1-2H3,(H2,22,27)
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250n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50193783
PNG
((1R,7S,8r)-ethyl 4-(4-((5-cyanopyridin-2-yloxy)met...)
Show SMILES CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)N1CC(COc2ccc(cn2)C#N)C(C)(C)C1=O
Show InChI InChI=1S/C24H31N3O4/c1-4-30-22(28)21-18-8-6-17(7-9-19(18)21)27-13-16(24(2,3)23(27)29)14-31-20-10-5-15(11-25)12-26-20/h5,10,12,16-19,21H,4,6-9,13-14H2,1-3H3/t16?,17?,18-,19+,21+
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260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50191945
PNG
(CHEMBL3904768)
Show SMILES Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCc1ccc(F)c(F)c1
Show InChI InChI=1S/C26H19F3N6O2/c1-34-22(6-8-32-34)16-7-9-35-23(14-30-24(35)12-16)26(37)33-21-11-17(3-5-19(21)28)25(36)31-13-15-2-4-18(27)20(29)10-15/h2-12,14H,13H2,1H3,(H,31,36)(H,33,37)
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n/an/a 0.0900n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50191977
PNG
(CHEMBL3983564)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cc[nH]n2)c1
Show InChI InChI=1S/C30H29FN8O2/c1-37-12-14-38(15-13-37)26-5-3-2-4-22(26)18-33-29(40)21-6-7-23(31)25(16-21)35-30(41)27-19-32-28-17-20(9-11-39(27)28)24-8-10-34-36-24/h2-11,16-17,19H,12-15,18H2,1H3,(H,33,40)(H,34,36)(H,35,41)
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n/an/a<0.100n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50191981
PNG
(CHEMBL3979322)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1
Show InChI InChI=1S/C31H31FN8O2/c1-37-13-15-39(16-14-37)27-6-4-3-5-23(27)19-34-30(41)22-7-8-24(32)25(17-22)36-31(42)28-20-33-29-18-21(10-12-40(28)29)26-9-11-35-38(26)2/h3-12,17-18,20H,13-16,19H2,1-2H3,(H,34,41)(H,36,42)
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n/an/a 0.180n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50191973
PNG
(CHEMBL3940697)
Show SMILES Cn1cc(cn1)-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCCN1CCCC1(C)C
Show InChI InChI=1S/C27H30FN7O2/c1-27(2)8-4-10-34(27)12-9-29-25(36)19-5-6-21(28)22(13-19)32-26(37)23-16-30-24-14-18(7-11-35(23)24)20-15-31-33(3)17-20/h5-7,11,13-17H,4,8-10,12H2,1-3H3,(H,29,36)(H,32,37)
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n/an/a 0.190n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50191978
PNG
(CHEMBL3915941)
Show SMILES Cc1ncc(cc1NC(=O)c1cnn2cc(ccc12)-c1cnn(C)c1)C(=O)NCCN1CCCC1(C)C
Show InChI InChI=1S/C27H32N8O2/c1-18-23(12-20(13-29-18)25(36)28-9-11-34-10-5-8-27(34,2)3)32-26(37)22-15-31-35-17-19(6-7-24(22)35)21-14-30-33(4)16-21/h6-7,12-17H,5,8-11H2,1-4H3,(H,28,36)(H,32,37)
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n/an/a 0.200n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50191974
PNG
(CHEMBL3913766)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cnn(C)c2)c1
Show InChI InChI=1S/C31H31FN8O2/c1-37-11-13-39(14-12-37)27-6-4-3-5-23(27)17-34-30(41)22-7-8-25(32)26(15-22)36-31(42)28-19-33-29-16-21(9-10-40(28)29)24-18-35-38(2)20-24/h3-10,15-16,18-20H,11-14,17H2,1-2H3,(H,34,41)(H,36,42)
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n/an/a 0.320n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50191975
PNG
(CHEMBL3975580)
Show SMILES Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCC1CCC(C)(C)O1
Show InChI InChI=1/C26H27FN6O3/c1-26(2)9-6-18(36-26)14-29-24(34)17-4-5-19(27)20(12-17)31-25(35)22-15-28-23-13-16(8-11-33(22)23)21-7-10-30-32(21)3/h4-5,7-8,10-13,15,18H,6,9,14H2,1-3H3,(H,29,34)(H,31,35)
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n/an/a 0.530n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50191946
PNG
(CHEMBL3950278)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cccnc2)c1
Show InChI InChI=1S/C32H30FN7O2/c1-38-13-15-39(16-14-38)28-7-3-2-5-25(28)20-36-31(41)23-8-9-26(33)27(17-23)37-32(42)29-21-35-30-18-22(10-12-40(29)30)24-6-4-11-34-19-24/h2-12,17-19,21H,13-16,20H2,1H3,(H,36,41)(H,37,42)
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n/an/a 0.75n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50191980
PNG
(CHEMBL3985689)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(ccc23)-c2ccnn2C)c1
Show InChI InChI=1S/C31H33N9O2/c1-21-26(36-31(42)25-19-35-40-20-23(8-9-29(25)40)27-10-11-34-38(27)3)16-24(18-32-21)30(41)33-17-22-6-4-5-7-28(22)39-14-12-37(2)13-15-39/h4-11,16,18-20H,12-15,17H2,1-3H3,(H,33,41)(H,36,42)
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n/an/a 0.960n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50192005
PNG
(CHEMBL3947262)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnn3cc(ccc23)-c2ccnn2C)c1
Show InChI InChI=1S/C31H31FN8O2/c1-37-13-15-39(16-14-37)28-6-4-3-5-22(28)18-33-30(41)21-7-9-25(32)26(17-21)36-31(42)24-19-35-40-20-23(8-10-29(24)40)27-11-12-34-38(27)2/h3-12,17,19-20H,13-16,18H2,1-2H3,(H,33,41)(H,36,42)
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n/an/a 1.20n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50191972
PNG
(CHEMBL3895824)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1 |r|
Show InChI InChI=1/C28H32FN7O2/c1-18-5-4-6-19(2)35(18)14-12-30-27(37)21-7-8-22(29)23(15-21)33-28(38)25-17-31-26-16-20(10-13-36(25)26)24-9-11-32-34(24)3/h7-11,13,15-19H,4-6,12,14H2,1-3H3,(H,30,37)(H,33,38)/t18-,19+
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n/an/a 1.30n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50192006
PNG
(CHEMBL3955987)
Show SMILES Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCCN1CCCC1(C)C
Show InChI InChI=1S/C27H30FN7O2/c1-27(2)9-4-12-34(27)14-11-29-25(36)19-5-6-20(28)21(15-19)32-26(37)23-17-30-24-16-18(8-13-35(23)24)22-7-10-31-33(22)3/h5-8,10,13,15-17H,4,9,11-12,14H2,1-3H3,(H,29,36)(H,32,37)
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n/an/a 1.30n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50192007
PNG
(CHEMBL3902237)
Show SMILES CCN(CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1)C(C)(C)C
Show InChI InChI=1S/C27H32FN7O2/c1-6-34(27(2,3)4)14-12-29-25(36)19-7-8-20(28)21(15-19)32-26(37)23-17-30-24-16-18(10-13-35(23)24)22-9-11-31-33(22)5/h7-11,13,15-17H,6,12,14H2,1-5H3,(H,29,36)(H,32,37)
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n/an/a 1.60n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor (PDGFr)


(Rattus norvegicus)
BDBM50191973
PNG
(CHEMBL3940697)
Show SMILES Cn1cc(cn1)-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCCN1CCCC1(C)C
Show InChI InChI=1S/C27H30FN7O2/c1-27(2)8-4-10-34(27)12-9-29-25(36)19-5-6-21(28)22(13-19)32-26(37)23-16-30-24-14-18(7-11-35(23)24)20-15-31-33(3)17-20/h5-7,11,13-17H,4,8-10,12H2,1-3H3,(H,29,36)(H,32,37)
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Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in presence of rat recombinant PDGF-BB by cell titer-glo luminescence ass...


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50193786
PNG
(4-[4-(5-cyano-pyridin-2-yloxymethyl)-3,3-dimethyl-...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:19:22:25.17.16,18:17:24.19.20:22,16:21:24:25.18.17,(9.98,-18.19,;8.66,-17.43,;9.11,-15.96,;8.17,-18.89,;9.08,-20.14,;10.62,-20.1,;11.41,-21.42,;10.67,-22.77,;11.47,-24.09,;13.01,-24.05,;13.75,-22.69,;12.94,-21.38,;13.82,-25.36,;14.62,-26.68,;6.63,-18.89,;6.16,-17.43,;4.7,-16.96,;3.39,-17.54,;1.86,-16.96,;1.81,-15.42,;3.25,-14.9,;4.7,-15.43,;3.71,-14.25,;2.28,-14.84,;.87,-14.21,;2.4,-16.37,;2.27,-13.3,;.94,-12.53,;3.6,-12.51,;7.41,-16.52,;7.4,-14.98,)|
Show InChI InChI=1S/C24H30N4O3/c1-23(2)18(13-31-19-4-3-14(10-25)11-27-19)12-28(22(23)30)20-16-5-15-6-17(20)9-24(7-15,8-16)21(26)29/h3-4,11,15-18,20H,5-9,12-13H2,1-2H3,(H2,26,29)/t15?,16?,17?,18?,20-,24-
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor (PDGFr)


(Rattus norvegicus)
BDBM50191975
PNG
(CHEMBL3975580)
Show SMILES Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCC1CCC(C)(C)O1
Show InChI InChI=1/C26H27FN6O3/c1-26(2)9-6-18(36-26)14-29-24(34)17-4-5-19(27)20(12-17)31-25(35)22-15-28-23-13-16(8-11-33(22)23)21-7-10-30-32(21)3/h4-5,7-8,10-13,15,18H,6,9,14H2,1-3H3,(H,29,34)(H,31,35)
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n/an/a 2.70n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in presence of rat recombinant PDGF-BB by cell titer-glo luminescence ass...


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM193944
PNG
(US9199981, F35)
Show SMILES Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(COC2CC(F)(F)C2(F)F)n1
Show InChI InChI=1/C22H17F4N5O3/c1-12-5-6-13(8-14(12)28-20(32)15-10-27-17-4-2-3-7-31(15)17)19-29-18(34-30-19)11-33-16-9-21(23,24)22(16,25)26/h2-8,10,16H,9,11H2,1H3,(H,28,32)
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n/an/a 3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The compounds was tested for inhibition of SCF dependent proliferation using human Mo7e cells which endogenously express c-kit in a 384 well format. ...


US Patent US9199981 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TKJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50193786
PNG
(4-[4-(5-cyano-pyridin-2-yloxymethyl)-3,3-dimethyl-...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:19:22:25.17.16,18:17:24.19.20:22,16:21:24:25.18.17,(9.98,-18.19,;8.66,-17.43,;9.11,-15.96,;8.17,-18.89,;9.08,-20.14,;10.62,-20.1,;11.41,-21.42,;10.67,-22.77,;11.47,-24.09,;13.01,-24.05,;13.75,-22.69,;12.94,-21.38,;13.82,-25.36,;14.62,-26.68,;6.63,-18.89,;6.16,-17.43,;4.7,-16.96,;3.39,-17.54,;1.86,-16.96,;1.81,-15.42,;3.25,-14.9,;4.7,-15.43,;3.71,-14.25,;2.28,-14.84,;.87,-14.21,;2.4,-16.37,;2.27,-13.3,;.94,-12.53,;3.6,-12.51,;7.41,-16.52,;7.4,-14.98,)|
Show InChI InChI=1S/C24H30N4O3/c1-23(2)18(13-31-19-4-3-14(10-25)11-27-19)12-28(22(23)30)20-16-5-15-6-17(20)9-24(7-15,8-16)21(26)29/h3-4,11,15-18,20H,5-9,12-13H2,1-2H3,(H2,26,29)/t15?,16?,17?,18?,20-,24-
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor (PDGFr)


(Rattus norvegicus)
BDBM50191945
PNG
(CHEMBL3904768)
Show SMILES Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCc1ccc(F)c(F)c1
Show InChI InChI=1S/C26H19F3N6O2/c1-34-22(6-8-32-34)16-7-9-35-23(14-30-24(35)12-16)26(37)33-21-11-17(3-5-19(21)28)25(36)31-13-15-2-4-18(27)20(29)10-15/h2-12,14H,13H2,1H3,(H,31,36)(H,33,37)
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Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in presence of rat recombinant PDGF-BB by cell titer-glo luminescence ass...


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50192679
PNG
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)|
Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17-
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50193785
PNG
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)|
Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20-
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50191976
PNG
(CHEMBL3967097)
Show SMILES CN(CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1)C(C)(C)C
Show InChI InChI=1S/C26H30FN7O2/c1-26(2,3)32(4)13-11-28-24(35)18-6-7-19(27)20(14-18)31-25(36)22-16-29-23-15-17(9-12-34(22)23)21-8-10-30-33(21)5/h6-10,12,14-16H,11,13H2,1-5H3,(H,28,35)(H,31,36)
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n/an/a 3.20n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor (PDGFr)


(Rattus norvegicus)
BDBM50191974
PNG
(CHEMBL3913766)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cnn(C)c2)c1
Show InChI InChI=1S/C31H31FN8O2/c1-37-11-13-39(14-12-37)27-6-4-3-5-23(27)17-34-30(41)22-7-8-25(32)26(15-22)36-31(42)28-19-33-29-16-21(9-10-40(28)29)24-18-35-38(2)20-24/h3-10,15-16,18-20H,11-14,17H2,1-2H3,(H,34,41)(H,36,42)
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Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in presence of rat recombinant PDGF-BB by cell titer-glo luminescence ass...


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50192791
PNG
(2-(5-bromo-pyridin-2-yloxy)-N-((1R,2S,5R,7S)-5-car...)
Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(25.25,-26.6,;23.93,-27.38,;22.6,-26.61,;25.25,-28.16,;26.6,-27.41,;27.92,-28.2,;29.26,-27.45,;29.28,-25.91,;30.62,-25.15,;27.94,-25.12,;26.61,-25.88,;22.59,-28.14,;22.57,-29.68,;21.26,-27.35,;19.98,-28.2,;19.97,-29.73,;18.95,-31.01,;17.55,-30.44,;17.54,-28.86,;18.58,-27.62,;17.24,-28.1,;17.24,-29.59,;15.91,-28.81,;14.57,-29.58,;13.23,-28.8,;14.56,-31.11,;16.05,-30.86,;18.57,-30.08,)|
Show InChI InChI=1S/C21H28BrN3O3/c1-20(2,28-17-4-3-15(22)11-24-17)19(27)25-18-13-5-12-6-14(18)9-21(7-12,8-13)10-16(23)26/h3-4,11-14,18H,5-10H2,1-2H3,(H2,23,26)(H,25,27)/t12-,13-,14?,18+,21+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli


Bioorg Med Chem Lett 16: 5414-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50193785
PNG
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)|
Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20-
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50192679
PNG
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)|
Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17-
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50192792
PNG
(CHEMBL219348 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)
Show SMILES CC(C)(Oc1ccc(cn1)-n1cccn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:21.33,18.19,wD:23.24,25.28,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(23.88,-36.88,;22.55,-37.66,;21.22,-36.88,;23.88,-38.44,;25.22,-37.69,;26.54,-38.48,;27.88,-37.73,;27.9,-36.18,;26.57,-35.4,;25.23,-36.16,;29.24,-35.43,;30.63,-36.07,;31.67,-34.93,;30.91,-33.6,;29.4,-33.91,;21.21,-38.41,;21.2,-39.95,;19.89,-37.63,;18.6,-38.48,;18.59,-40.01,;17.58,-41.28,;16.17,-40.72,;16.17,-39.14,;17.21,-37.9,;15.86,-38.38,;15.87,-39.86,;14.53,-39.09,;13.19,-39.85,;11.86,-39.07,;13.19,-41.39,;14.67,-41.14,;17.2,-40.35,)|
Show InChI InChI=1S/C24H31N5O3/c1-23(2,32-20-5-4-18(14-26-20)29-7-3-6-27-29)22(31)28-21-16-8-15-9-17(21)12-24(10-15,11-16)13-19(25)30/h3-7,14-17,21H,8-13H2,1-2H3,(H2,25,30)(H,28,31)/t15-,16-,17?,21+,24+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli


Bioorg Med Chem Lett 16: 5414-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50192791
PNG
(2-(5-bromo-pyridin-2-yloxy)-N-((1R,2S,5R,7S)-5-car...)
Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(25.25,-26.6,;23.93,-27.38,;22.6,-26.61,;25.25,-28.16,;26.6,-27.41,;27.92,-28.2,;29.26,-27.45,;29.28,-25.91,;30.62,-25.15,;27.94,-25.12,;26.61,-25.88,;22.59,-28.14,;22.57,-29.68,;21.26,-27.35,;19.98,-28.2,;19.97,-29.73,;18.95,-31.01,;17.55,-30.44,;17.54,-28.86,;18.58,-27.62,;17.24,-28.1,;17.24,-29.59,;15.91,-28.81,;14.57,-29.58,;13.23,-28.8,;14.56,-31.11,;16.05,-30.86,;18.57,-30.08,)|
Show InChI InChI=1S/C21H28BrN3O3/c1-20(2,28-17-4-3-15(22)11-24-17)19(27)25-18-13-5-12-6-14(18)9-21(7-12,8-13)10-16(23)26/h3-4,11-14,18H,5-10H2,1-2H3,(H2,23,26)(H,25,27)/t12-,13-,14?,18+,21+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli


Bioorg Med Chem Lett 16: 5414-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM193953
PNG
(US9199981, F44)
Show SMILES Cc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-c1cnn(CC(C)(C)O)c1)-c1noc(n1)C1CC(F)(F)C1
Show InChI InChI=1S/C28H27F2N7O3/c1-16-4-5-17(24-34-26(40-35-24)19-9-28(29,30)10-19)8-21(16)33-25(38)22-12-31-23-7-6-18(14-37(22)23)20-11-32-36(13-20)15-27(2,3)39/h4-8,11-14,19,39H,9-10,15H2,1-3H3,(H,33,38)
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n/an/a 6n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The compounds was tested for inhibition of SCF dependent proliferation using human Mo7e cells which endogenously express c-kit in a 384 well format. ...


US Patent US9199981 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TKJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50193785
PNG
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)|
Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20-
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM193951
PNG
(US9199981, F42)
Show SMILES Cc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-c1cnn(C)c1)-c1noc(n1)C1CC(F)(F)C1
Show InChI InChI=1S/C25H21F2N7O2/c1-14-3-4-15(22-31-24(36-32-22)17-8-25(26,27)9-17)7-19(14)30-23(35)20-11-28-21-6-5-16(13-34(20)21)18-10-29-33(2)12-18/h3-7,10-13,17H,8-9H2,1-2H3,(H,30,35)
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n/an/a 7n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The compounds was tested for inhibition of SCF dependent proliferation using human Mo7e cells which endogenously express c-kit in a 384 well format. ...


US Patent US9199981 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TKJ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM193968
PNG
(US9199981, F59)
Show SMILES Cc1ccc(cc1NC(=O)c1cnc2cc(ccn12)N1CCOCC1)-c1noc(n1)C1CC(F)(F)C1
Show InChI InChI=1S/C25H24F2N6O3/c1-15-2-3-16(22-30-24(36-31-22)17-12-25(26,27)13-17)10-19(15)29-23(34)20-14-28-21-11-18(4-5-33(20)21)32-6-8-35-9-7-32/h2-5,10-11,14,17H,6-9,12-13H2,1H3,(H,29,34)
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NOVARTIS AG

US Patent


Assay Description
The compounds was tested for inhibition of SCF dependent proliferation using human Mo7e cells which endogenously express c-kit in a 384 well format. ...


US Patent US9199981 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TKJ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM193923
PNG
(US9199981, F13 | US9199981, F92)
Show SMILES Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)C1CC(F)(F)C1
Show InChI InChI=1S/C21H17F2N5O2/c1-12-5-6-13(18-26-20(30-27-18)14-9-21(22,23)10-14)8-15(12)25-19(29)16-11-24-17-4-2-3-7-28(16)17/h2-8,11,14H,9-10H2,1H3,(H,25,29)
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n/an/a 7n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The compounds was tested for inhibition of SCF dependent proliferation using human Mo7e cells which endogenously express c-kit in a 384 well format. ...


US Patent US9199981 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TKJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor (PDGFr)


(Rattus norvegicus)
BDBM50191946
PNG
(CHEMBL3950278)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cccnc2)c1
Show InChI InChI=1S/C32H30FN7O2/c1-38-13-15-39(16-14-38)28-7-3-2-5-25(28)20-36-31(41)23-8-9-26(33)27(17-23)37-32(42)29-21-35-30-18-22(10-12-40(29)30)24-6-4-11-34-19-24/h2-12,17-19,21H,13-16,20H2,1H3,(H,36,41)(H,37,42)
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n/an/a 7.90n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in presence of rat recombinant PDGF-BB by cell titer-glo luminescence ass...


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50192679
PNG
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)|
Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17-
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells


Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50394726
PNG
(CHEMBL2165819)
Show SMILES Nc1c(cnc2ccnn12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.22,wD:16.18,(18.97,-45.21,;18.92,-46.74,;20.23,-47.56,;20.18,-49.09,;18.83,-49.82,;17.52,-49.01,;16.04,-49.44,;15.18,-48.17,;16.11,-46.95,;17.56,-47.47,;21.59,-46.83,;22.9,-47.64,;24.25,-46.91,;24.3,-45.37,;22.99,-44.56,;21.64,-45.29,;25.66,-44.64,;26.97,-45.45,;28.32,-44.72,;28.37,-43.19,;29.73,-42.46,;31.04,-43.26,;30.99,-44.81,;32.39,-42.54,;27.06,-42.37,;25.71,-43.1,)|
Show InChI InChI=1S/C20H22N4O2/c21-20-17(12-22-18-9-10-23-24(18)20)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-19(25)26/h5-10,12-14H,1-4,11,21H2,(H,25,26)/t13-,14-
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 using [1-14C]decanoyl-CoA substrate by phospholipid flash plate assay


J Med Chem 55: 1751-7 (2012)


Article DOI: 10.1021/jm201524g
BindingDB Entry DOI: 10.7270/Q2862HJ9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50394726
PNG
(CHEMBL2165819)
Show SMILES Nc1c(cnc2ccnn12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.22,wD:16.18,(18.97,-45.21,;18.92,-46.74,;20.23,-47.56,;20.18,-49.09,;18.83,-49.82,;17.52,-49.01,;16.04,-49.44,;15.18,-48.17,;16.11,-46.95,;17.56,-47.47,;21.59,-46.83,;22.9,-47.64,;24.25,-46.91,;24.3,-45.37,;22.99,-44.56,;21.64,-45.29,;25.66,-44.64,;26.97,-45.45,;28.32,-44.72,;28.37,-43.19,;29.73,-42.46,;31.04,-43.26,;30.99,-44.81,;32.39,-42.54,;27.06,-42.37,;25.71,-43.1,)|
Show InChI InChI=1S/C20H22N4O2/c21-20-17(12-22-18-9-10-23-24(18)20)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-19(25)26/h5-10,12-14H,1-4,11,21H2,(H,25,26)/t13-,14-
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human recombinant DGAT1 expressed in insect cell membrane using [1-14C]decanoyl-CoA substrate by phospholipid fl...


J Med Chem 55: 1751-7 (2012)


Article DOI: 10.1021/jm201524g
BindingDB Entry DOI: 10.7270/Q2862HJ9
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor (PDGFr)


(Rattus norvegicus)
BDBM50191972
PNG
(CHEMBL3895824)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1 |r|
Show InChI InChI=1/C28H32FN7O2/c1-18-5-4-6-19(2)35(18)14-12-30-27(37)21-7-8-22(29)23(15-21)33-28(38)25-17-31-26-16-20(10-13-36(25)26)24-9-11-32-34(24)3/h7-11,13,15-19H,4-6,12,14H2,1-3H3,(H,30,37)(H,33,38)/t18-,19+
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n/an/a 8.70n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in presence of rat recombinant PDGF-BB by cell titer-glo luminescence ass...


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50193785
PNG
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)|
Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20-
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM194009
PNG
(US9199981, F102)
Show SMILES Cc1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1C)-c1noc(COC2CC(F)(F)C2(F)F)n1
Show InChI InChI=1/C23H19F4N5O3/c1-12-5-6-32-16(10-28-18(32)7-12)21(33)29-15-8-14(4-3-13(15)2)20-30-19(35-31-20)11-34-17-9-22(24,25)23(17,26)27/h3-8,10,17H,9,11H2,1-2H3,(H,29,33)
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n/an/a 9n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The compounds was tested for inhibition of SCF dependent proliferation using human Mo7e cells which endogenously express c-kit in a 384 well format. ...


US Patent US9199981 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TKJ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM194084
PNG
(US9199981, F19)
Show SMILES CO[C@H]1C[C@H](C1)c1nc(no1)-c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r,wD:4.6,2.1,(7.85,-.09,;6.52,-.86,;5.18,-.09,;4.78,1.4,;3.3,1,;3.69,-.49,;1.96,1.77,;.5,1.29,;-.41,2.54,;.5,3.78,;1.96,3.31,;-1.95,2.54,;-2.72,3.87,;-4.26,3.87,;-5.03,2.54,;-6.57,2.54,;-4.26,1.2,;-5.03,-.13,;-6.57,-.13,;-7.34,1.2,;-7.34,-1.46,;-6.79,-2.9,;-7.98,-3.87,;-9.27,-3.03,;-10.76,-3.43,;-11.85,-2.34,;-11.45,-.85,;-9.96,-.46,;-8.88,-1.54,;-2.72,1.2,)|
Show InChI InChI=1/C22H21N5O3/c1-13-6-7-14(20-25-22(30-26-20)15-9-16(10-15)29-2)11-17(13)24-21(28)18-12-23-19-5-3-4-8-27(18)19/h3-8,11-12,15-16H,9-10H2,1-2H3,(H,24,28)/t15-,16+
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NOVARTIS AG

US Patent


Assay Description
The compounds was tested for inhibition of SCF dependent proliferation using human Mo7e cells which endogenously express c-kit in a 384 well format. ...


US Patent US9199981 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TKJ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM193949
PNG
(US9199981, F40)
Show SMILES Cc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-c1cn[nH]c1)-c1noc(n1)C1CC(F)(F)C1
Show InChI InChI=1S/C24H19F2N7O2/c1-13-2-3-14(21-31-23(35-32-21)16-7-24(25,26)8-16)6-18(13)30-22(34)19-11-27-20-5-4-15(12-33(19)20)17-9-28-29-10-17/h2-6,9-12,16H,7-8H2,1H3,(H,28,29)(H,30,34)
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NOVARTIS AG

US Patent


Assay Description
The compounds was tested for inhibition of SCF dependent proliferation using human Mo7e cells which endogenously express c-kit in a 384 well format. ...


US Patent US9199981 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TKJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor (PDGFr)


(Rattus norvegicus)
BDBM50191981
PNG
(CHEMBL3979322)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1
Show InChI InChI=1S/C31H31FN8O2/c1-37-13-15-39(16-14-37)27-6-4-3-5-23(27)19-34-30(41)22-7-8-24(32)25(17-22)36-31(42)28-20-33-29-18-21(10-12-40(28)29)26-9-11-35-38(26)2/h3-12,17-18,20H,13-16,19H2,1-2H3,(H,34,41)(H,36,42)
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n/an/a 9.20n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in presence of rat recombinant PDGF-BB by cell titer-glo luminescence ass...


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor (PDGFr)


(Rattus norvegicus)
BDBM50192006
PNG
(CHEMBL3955987)
Show SMILES Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCCN1CCCC1(C)C
Show InChI InChI=1S/C27H30FN7O2/c1-27(2)9-4-12-34(27)14-11-29-25(36)19-5-6-20(28)21(15-19)32-26(37)23-17-30-24-16-18(8-13-35(23)24)22-7-10-31-33(22)3/h5-8,10,13,15-17H,4,9,11-12,14H2,1-3H3,(H,29,36)(H,32,37)
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Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in presence of rat recombinant PDGF-BB by cell titer-glo luminescence ass...


J Med Chem 59: 7901-14 (2016)


BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
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