Found 170 hits with Last Name = 'chen' and Initial = 'ts' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50167697
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50167697
((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50167698
(13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...)Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50167694
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50167698
(13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...)Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50167694
(2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....)Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328416
((Z)-3-((4-(3-(dimethylamino)propoxy)-3-methylazule...)Show SMILES CN(C)CCCOc1ccccc2c(\C=C3/C(=O)Nc4ccc(F)c(F)c34)cc(C)c12 Show InChI InChI=1S/C25H24F2N2O2/c1-15-13-16(14-18-23-20(28-25(18)30)10-9-19(26)24(23)27)17-7-4-5-8-21(22(15)17)31-12-6-11-29(2)3/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,28,30)/b18-14- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50349120
(CHEMBL1807196)Show SMILES CNC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(7-8-27-18)32-14-4-2-3-12(9-14)28-20(31)29-13-5-6-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50167700
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)Show SMILES CC1(COC(=O)[C@@]2(C)CCC[C@@]3(C)[C@H]2CCc2ccc(O)cc32)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H44O4/c1-31(15-5-16-32(2)26-19-24(35)11-7-22(26)9-13-28(31)32)21-38-30(37)34(4)18-6-17-33(3)27-20-25(36)12-8-23(27)10-14-29(33)34/h7-8,11-12,19-20,28-29,35-36H,5-6,9-10,13-18,21H2,1-4H3/t28-,29+,31?,32+,33+,34-/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328417
((Z)-4,5-difluoro-3-((3-methyl-4-(3-morpholinopropo...)Show SMILES Cc1cc(\C=C2/C(=O)Nc3ccc(F)c(F)c23)c2ccccc(OCCCN3CCOCC3)c12 Show InChI InChI=1S/C27H26F2N2O3/c1-17-15-18(16-20-25-22(30-27(20)32)8-7-21(28)26(25)29)19-5-2-3-6-23(24(17)19)34-12-4-9-31-10-13-33-14-11-31/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,30,32)/b20-16- | PDB
NCI pathway
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328406
((Z)-3-((4-(3-(dimethylamino)propoxy)-3-methylazule...)Show SMILES CN(C)CCCOc1ccccc2c(\C=C3/C(=O)Nc4ccc(F)cc34)cc(C)c12 Show InChI InChI=1S/C25H25FN2O2/c1-16-13-17(14-21-20-15-18(26)9-10-22(20)27-25(21)29)19-7-4-5-8-23(24(16)19)30-12-6-11-28(2)3/h4-5,7-10,13-15H,6,11-12H2,1-3H3,(H,27,29)/b21-14- | PDB
NCI pathway
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50167700
((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...)Show SMILES CC1(COC(=O)[C@@]2(C)CCC[C@@]3(C)[C@H]2CCc2ccc(O)cc32)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H44O4/c1-31(15-5-16-32(2)26-19-24(35)11-7-22(26)9-13-28(31)32)21-38-30(37)34(4)18-6-17-33(3)27-20-25(36)12-8-23(27)10-14-29(33)34/h7-8,11-12,19-20,28-29,35-36H,5-6,9-10,13-18,21H2,1-4H3/t28-,29+,31?,32+,33+,34-/m0/s1 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328419
((Z)-3-((4-(3-(diethylamino)propoxy)-3-methylazulen...)Show SMILES CCN(CC)CCCOc1ccccc2c(\C=C3/C(=O)Nc4ccc(F)c(F)c34)cc(C)c12 Show InChI InChI=1S/C27H28F2N2O2/c1-4-31(5-2)13-8-14-33-23-10-7-6-9-19-18(15-17(3)24(19)23)16-20-25-22(30-27(20)32)12-11-21(28)26(25)29/h6-7,9-12,15-16H,4-5,8,13-14H2,1-3H3,(H,30,32)/b20-16- | PDB
NCI pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of c-Kit autophosphorylation in human Kasumi-1 cells by Western blot analysis |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
NCI pathway
Reactome pathway
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CHEMBL
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| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 autophosphorylation in human RS4-11 cells by Western blot analysis |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328418
((Z)-4,5-difluoro-3-((3-methyl-4-(3-(piperidin-1-yl...)Show SMILES Cc1cc(\C=C2/C(=O)Nc3ccc(F)c(F)c23)c2ccccc(OCCCN3CCCCC3)c12 Show InChI InChI=1S/C28H28F2N2O2/c1-18-16-19(17-21-26-23(31-28(21)33)11-10-22(29)27(26)30)20-8-3-4-9-24(25(18)20)34-15-7-14-32-12-5-2-6-13-32/h3-4,8-11,16-17H,2,5-7,12-15H2,1H3,(H,31,33)/b21-17- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRbeta autophosphorylation by cell based western blot analysis |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328415
((Z)-3-((4-(2-(4-(dimethylamino)piperidin-1-yl)etho...)Show SMILES CN(C)C1CCN(CCOc2ccccc3c(\C=C4/C(=O)Nc5ccc(F)cc45)cc(C)c23)CC1 Show InChI InChI=1S/C29H32FN3O2/c1-19-16-20(17-25-24-18-21(30)8-9-26(24)31-29(25)34)23-6-4-5-7-27(28(19)23)35-15-14-33-12-10-22(11-13-33)32(2)3/h4-9,16-18,22H,10-15H2,1-3H3,(H,31,34)/b25-17- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328403
((Z)-5-fluoro-3-((3-methyl-4-(2-morpholinoethoxy)az...)Show SMILES Cc1cc(\C=C2/C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCOCC3)c12 Show InChI InChI=1S/C26H25FN2O3/c1-17-14-18(15-22-21-16-19(27)6-7-23(21)28-26(22)30)20-4-2-3-5-24(25(17)20)32-13-10-29-8-11-31-12-9-29/h2-7,14-16H,8-13H2,1H3,(H,28,30)/b22-15- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328401
((Z)-5-fluoro-3-((3-fluoroazulen-1-yl)methylene)ind...)Show InChI InChI=1S/C19H11F2NO/c20-12-6-7-18-15(10-12)16(19(23)22-18)8-11-9-17(21)14-5-3-1-2-4-13(11)14/h1-10H,(H,22,23)/b16-8- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50126018
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328405
((E)-3-((4-(3-(dimethylamino)propoxy)-3-methylazule...)Show SMILES CN(C)CCCOc1ccccc2c(\C=C3\C(=O)Nc4ccc(F)cc34)cc(C)c12 Show InChI InChI=1S/C25H25FN2O2/c1-16-13-17(14-21-20-15-18(26)9-10-22(20)27-25(21)29)19-7-4-5-8-23(24(16)19)30-12-6-11-28(2)3/h4-5,7-10,13-15H,6,11-12H2,1-3H3,(H,27,29)/b21-14+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50328414
(CHEMBL1258603 | E/Z-(S)-5-fluoro-3-((4-(2-(2-(hydr...)Show SMILES Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12 |r,w:4.3| Show InChI InChI=1S/C27H27FN2O3/c1-17-13-18(14-23-22-15-19(28)8-9-24(22)29-27(23)32)21-6-2-3-7-25(26(17)21)33-12-11-30-10-4-5-20(30)16-31/h2-3,6-9,13-15,20,31H,4-5,10-12,16H2,1H3,(H,29,32)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRbeta autophosphorylation by cell based western blot analysis |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50167695
(13-[13-hydroxy-2,6-dimethyl-(2S,6S,7R)-tricyclo[8....)Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(OC(=O)[C@@]3(C)CCC[C@@]4(C)[C@H]3CCc3ccc(O)cc43)cc21)C(O)=O Show InChI InChI=1S/C34H42O5/c1-31-16-6-18-34(4,28(31)14-10-21-7-11-23(35)19-25(21)31)30(38)39-24-12-8-22-9-13-27-32(2,26(22)20-24)15-5-17-33(27,3)29(36)37/h7-8,11-12,19-20,27-28,35H,5-6,9-10,13-18H2,1-4H3,(H,36,37)/t27-,28-,31-,32-,33?,34+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328407
((E)-3-((4-(3-(diethylamino)propoxy)-3-methylazulen...)Show SMILES CCN(CC)CCCOc1ccccc2c(\C=C3\C(=O)Nc4ccc(F)cc34)cc(C)c12 Show InChI InChI=1S/C27H29FN2O2/c1-4-30(5-2)13-8-14-32-25-10-7-6-9-21-19(15-18(3)26(21)25)16-23-22-17-20(28)11-12-24(22)29-27(23)31/h6-7,9-12,15-17H,4-5,8,13-14H2,1-3H3,(H,29,31)/b23-16+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50126018
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50349119
(CHEMBL1807197)Show SMILES CCCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC)cc4[nH]3)c2c1 Show InChI InChI=1S/C23H23N7O/c1-3-6-24-10-14-7-15(12-25-11-14)16-8-18-21(29-30-22(18)26-13-16)23-27-19-5-4-17(31-2)9-20(19)28-23/h4-5,7-9,11-13,24H,3,6,10H2,1-2H3,(H,27,28)(H,26,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50349138
(CHEMBL1807521)Show SMILES CCCCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC)cc4[nH]3)c2c1 Show InChI InChI=1S/C24H25N7O/c1-3-4-7-25-11-15-8-16(13-26-12-15)17-9-19-22(30-31-23(19)27-14-17)24-28-20-6-5-18(32-2)10-21(20)29-24/h5-6,8-10,12-14,25H,3-4,7,11H2,1-2H3,(H,28,29)(H,27,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50214108
(CHEMBL248712 | N-((5-(3-(5,6-difluoro-1H-benzo[d]i...)Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cc(F)c(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H17F2N7/c1-2-24-7-11-3-12(9-25-8-11)13-4-14-19(29-30-20(14)26-10-13)21-27-17-5-15(22)16(23)6-18(17)28-21/h3-6,8-10,24H,2,7H2,1H3,(H,27,28)(H,26,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328408
((Z)-3-((4-(3-(diethylamino)propoxy)-3-methylazulen...)Show SMILES CCN(CC)CCCOc1ccccc2c(\C=C3/C(=O)Nc4ccc(F)cc34)cc(C)c12 Show InChI InChI=1S/C27H29FN2O2/c1-4-30(5-2)13-8-14-32-25-10-7-6-9-21-19(15-18(3)26(21)25)16-23-22-17-20(28)11-12-24(22)29-27(23)31/h6-7,9-12,15-17H,4-5,8,13-14H2,1-3H3,(H,29,31)/b23-16- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50328414
(CHEMBL1258603 | E/Z-(S)-5-fluoro-3-((4-(2-(2-(hydr...)Show SMILES Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12 |r,w:4.3| Show InChI InChI=1S/C27H27FN2O3/c1-17-13-18(14-23-22-15-19(28)8-9-24(22)29-27(23)32)21-6-2-3-7-25(26(17)21)33-12-11-30-10-4-5-20(30)16-31/h2-3,6-9,13-15,20,31H,4-5,10-12,16H2,1H3,(H,29,32)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of c-Kit autophosphorylation in human Kasumi-1 cells by Western blot analysis |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50212747
((E)-1-(4-((5,6-dimethoxy-2-oxoindolin-3-ylidene)me...)Show SMILES COc1cc2NC(=O)\C(=C\c3ccc(NC(=O)Nc4ccc(O)cc4)cc3)c2cc1OC Show InChI InChI=1S/C24H21N3O5/c1-31-21-12-18-19(23(29)27-20(18)13-22(21)32-2)11-14-3-5-15(6-4-14)25-24(30)26-16-7-9-17(28)10-8-16/h3-13,28H,1-2H3,(H,27,29)(H2,25,26,30)/b19-11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of KDR autophosphorylation in HUVEC by Western blot analysis |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328399
((E)-5-fluoro-3-((3-methylazulen-1-yl)methylene)ind...)Show InChI InChI=1S/C20H14FNO/c1-12-9-13(16-6-4-2-3-5-15(12)16)10-18-17-11-14(21)7-8-19(17)22-20(18)23/h2-11H,1H3,(H,22,23)/b18-10+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50167699
(1-((9R,10S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,1...)Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)CC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C35H44O4/c1-32-15-5-17-34(3,28(32)13-9-22-7-11-24(36)19-26(22)32)30(38)21-31(39)35(4)18-6-16-33(2)27-20-25(37)12-8-23(27)10-14-29(33)35/h7-8,11-12,19-20,28-29,36-37H,5-6,9-10,13-18,21H2,1-4H3/t28-,29-,32-,33-,34+,35?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328414
(CHEMBL1258603 | E/Z-(S)-5-fluoro-3-((4-(2-(2-(hydr...)Show SMILES Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12 |r,w:4.3| Show InChI InChI=1S/C27H27FN2O3/c1-17-13-18(14-23-22-15-19(28)8-9-24(22)29-27(23)32)21-6-2-3-7-25(26(17)21)33-12-11-30-10-4-5-20(30)16-31/h2-3,6-9,13-15,20,31H,4-5,10-12,16H2,1H3,(H,29,32)/t20-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 autophosphorylation in human RS4-11 cells by Western blot analysis |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328411
((Z)-5-bromo-3-((3-methyl-4-(3-morpholinopropoxy)az...)Show SMILES Cc1cc(\C=C2/C(=O)Nc3ncc(Br)cc23)c2ccccc(OCCCN3CCOCC3)c12 Show InChI InChI=1S/C26H26BrN3O3/c1-17-13-18(14-22-21-15-19(27)16-28-25(21)29-26(22)31)20-5-2-3-6-23(24(17)20)33-10-4-7-30-8-11-32-12-9-30/h2-3,5-6,13-16H,4,7-12H2,1H3,(H,28,29,31)/b22-14- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50167695
(13-[13-hydroxy-2,6-dimethyl-(2S,6S,7R)-tricyclo[8....)Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(OC(=O)[C@@]3(C)CCC[C@@]4(C)[C@H]3CCc3ccc(O)cc43)cc21)C(O)=O Show InChI InChI=1S/C34H42O5/c1-31-16-6-18-34(4,28(31)14-10-21-7-11-23(35)19-25(21)31)30(38)39-24-12-8-22-9-13-27-32(2,26(22)20-24)15-5-17-33(27,3)29(36)37/h7-8,11-12,19-20,27-28,35H,5-6,9-10,13-18H2,1-4H3,(H,36,37)/t27-,28-,31-,32-,33?,34+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
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UniChem
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PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay |
Bioorg Med Chem Lett 15: 2824-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50349139
(CHEMBL1806510)Show SMILES COc1cc2[nH]c3c(C(CNC3=O)c3cccc(O)c3)c2cc1OC Show InChI InChI=1S/C19H18N2O4/c1-24-15-7-12-14(8-16(15)25-2)21-18-17(12)13(9-20-19(18)23)10-4-3-5-11(22)6-10/h3-8,13,21-22H,9H2,1-2H3,(H,20,23) | PDB
MMDB
KEGG
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antibodypedia
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UniChem
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328410
((Z)-5-fluoro-3-((3-methyl-4-(3-morpholinopropoxy)a...)Show SMILES Cc1cc(\C=C2/C(=O)Nc3ncc(F)cc23)c2ccccc(OCCCN3CCOCC3)c12 Show InChI InChI=1S/C26H26FN3O3/c1-17-13-18(14-22-21-15-19(27)16-28-25(21)29-26(22)31)20-5-2-3-6-23(24(17)20)33-10-4-7-30-8-11-32-12-9-30/h2-3,5-6,13-16H,4,7-12H2,1H3,(H,28,29,31)/b22-14- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328414
(CHEMBL1258603 | E/Z-(S)-5-fluoro-3-((4-(2-(2-(hydr...)Show SMILES Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12 |r,w:4.3| Show InChI InChI=1S/C27H27FN2O3/c1-17-13-18(14-23-22-15-19(28)8-9-24(22)29-27(23)32)21-6-2-3-7-25(26(17)21)33-12-11-30-10-4-5-20(30)16-31/h2-3,6-9,13-15,20,31H,4-5,10-12,16H2,1H3,(H,29,32)/t20-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50349140
(CHEMBL1807713)Show SMILES CN(C)Cc1cncc(c1)-c1ccc2[nH]c(nc2c1)-c1n[nH]c2ncc(cc12)N1CCN(C)CC1 Show InChI InChI=1S/C26H29N9/c1-33(2)16-17-10-19(14-27-13-17)18-4-5-22-23(11-18)30-26(29-22)24-21-12-20(15-28-25(21)32-31-24)35-8-6-34(3)7-9-35/h4-5,10-15H,6-9,16H2,1-3H3,(H,29,30)(H,28,31,32) | PDB
MMDB
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B.MOAD
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50214095
(CHEMBL248713 | CHEMBL511394 | N-((5-(3-(5-fluoro-1...)Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H18FN7/c1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21/h3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50214095
(CHEMBL248713 | CHEMBL511394 | N-((5-(3-(5-fluoro-1...)Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H18FN7/c1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21/h3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50349141
(CHEMBL1807714)Show SMILES COc1cc2[nH]c3c(C(CNC3=O)c3ccc(O)cc3)c2cc1OC Show InChI InChI=1S/C19H18N2O4/c1-24-15-7-12-14(8-16(15)25-2)21-18-17(12)13(9-20-19(18)23)10-3-5-11(22)6-4-10/h3-8,13,21-22H,9H2,1-2H3,(H,20,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50349142
(CHEMBL1807715)Show SMILES CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C25H27N9/c1-26-12-16-9-17(14-27-13-16)18-10-20-23(31-32-24(20)28-15-18)25-29-21-4-3-19(11-22(21)30-25)34-7-5-33(2)6-8-34/h3-4,9-11,13-15,26H,5-8,12H2,1-2H3,(H,29,30)(H,28,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50349143
(CHEMBL1807716)Show SMILES COc1cc(Nc2nccc(n2)-c2c[nH]c3ncccc23)cc(OC)c1OC Show InChI InChI=1S/C20H19N5O3/c1-26-16-9-12(10-17(27-2)18(16)28-3)24-20-22-8-6-15(25-20)14-11-23-19-13(14)5-4-7-21-19/h4-11H,1-3H3,(H,21,23)(H,22,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50328400
((Z)-5-fluoro-3-((3-methylazulen-1-yl)methylene)ind...)Show InChI InChI=1S/C20H14FNO/c1-12-9-13(16-6-4-2-3-5-15(12)16)10-18-17-11-14(21)7-8-19(17)22-20(18)23/h2-11H,1H3,(H,22,23)/b18-10- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Technology Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 by time resolved fluorescence method |
Bioorg Med Chem Lett 20: 6129-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50214099
(CHEMBL400569 | N-((5-(3-(5-(4-methylpiperazin-1-yl...)Show SMILES CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C26H29N9/c1-3-27-13-17-10-18(15-28-14-17)19-11-21-24(32-33-25(21)29-16-19)26-30-22-5-4-20(12-23(22)31-26)35-8-6-34(2)7-9-35/h4-5,10-12,14-16,27H,3,6-9,13H2,1-2H3,(H,30,31)(H,29,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University
Curated by ChEMBL
| Assay Description
Inhibition of RET kinase |
Bioorg Med Chem Lett 21: 4490-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.003
BindingDB Entry DOI: 10.7270/Q2BV7H06 |
More data for this
Ligand-Target Pair | |
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