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Compile Data Set for Download or QSAR

Found 367 hits with Last Name = 'son' and Initial = 'jy'   
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
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50483880
PNG
(CHEMBL1774642)
Show SMILES CNc1ccc(cc1)-c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3
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0.200n/an/an/an/an/an/an/an/a



Seoul National University Bundang Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting


Bioorg Med Chem 19: 2980-90 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50483881
PNG
(CHEMBL1774643)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C15H13FN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Seoul National University Bundang Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting


Bioorg Med Chem 19: 2980-90 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50129793
PNG
(2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...)
Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3
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1.60n/an/an/an/an/an/an/an/a



Seoul National University Bundang Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting


Bioorg Med Chem 19: 2980-90 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50483880
PNG
(CHEMBL1774642)
Show SMILES CNc1ccc(cc1)-c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3
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5.5n/an/an/an/an/an/an/an/a



Seoul National University Bundang Hospital

Curated by ChEMBL


Assay Description
Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting


Bioorg Med Chem 19: 2980-90 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50129793
PNG
(2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...)
Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3
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5.80n/an/an/an/an/an/an/an/a



Seoul National University Bundang Hospital

Curated by ChEMBL


Assay Description
Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting


Bioorg Med Chem 19: 2980-90 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50483881
PNG
(CHEMBL1774643)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C15H13FN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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5.90n/an/an/an/an/an/an/an/a



Seoul National University Bundang Hospital

Curated by ChEMBL


Assay Description
Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting


Bioorg Med Chem 19: 2980-90 (2011)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86298
PNG
(WKFMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C41H61N9O6S2/c1-25(2)35(41(56)46-31(36(44)51)17-20-57-3)50-39(54)33(18-21-58-4)48-40(55)34(22-26-12-6-5-7-13-26)49-38(53)32(16-10-11-19-42)47-37(52)29(43)23-27-24-45-30-15-9-8-14-28(27)30/h5-9,12-15,24-25,29,31-35,45H,10-11,16-23,42-43H2,1-4H3,(H2,44,51)(H,46,56)(H,47,52)(H,48,55)(H,49,53)(H,50,54)/t29-,31+,32+,33-,34-,35-/m0/s1
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18n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86301
PNG
(WKWMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C43H62N10O6S2/c1-25(2)37(43(59)49-33(38(46)54)16-19-60-3)53-41(57)35(17-20-61-4)51-42(58)36(22-27-24-48-32-14-8-6-12-29(27)32)52-40(56)34(15-9-10-18-44)50-39(55)30(45)21-26-23-47-31-13-7-5-11-28(26)31/h5-8,11-14,23-25,30,33-37,47-48H,9-10,15-22,44-45H2,1-4H3,(H2,46,54)(H,49,59)(H,50,55)(H,51,58)(H,52,56)(H,53,57)/t30-,33+,34+,35-,36-,37-/m0/s1
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19n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50483882
PNG
(CHEMBL284575)
Show SMILES Nc1ccc(cc1)-c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C13H9FN2S/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2
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26n/an/an/an/an/an/an/an/a



Seoul National University Bundang Hospital

Curated by ChEMBL


Assay Description
Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting


Bioorg Med Chem 19: 2980-90 (2011)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86299
PNG
(WHYMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C41H56N10O7S2/c1-23(2)35(41(58)47-31(36(43)53)13-15-59-3)51-38(55)32(14-16-60-4)48-39(56)33(17-24-9-11-27(52)12-10-24)50-40(57)34(19-26-21-44-22-46-26)49-37(54)29(42)18-25-20-45-30-8-6-5-7-28(25)30/h5-12,20-23,29,31-35,45,52H,13-19,42H2,1-4H3,(H2,43,53)(H,44,46)(H,47,58)(H,48,56)(H,49,54)(H,50,57)(H,51,55)/t29-,31+,32-,33-,34+,35-/m0/s1
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32n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86297
PNG
(WKYMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C41H61N9O7S2/c1-24(2)35(41(57)46-31(36(44)52)16-19-58-3)50-39(55)33(17-20-59-4)48-40(56)34(21-25-12-14-27(51)15-13-25)49-38(54)32(11-7-8-18-42)47-37(53)29(43)22-26-23-45-30-10-6-5-9-28(26)30/h5-6,9-10,12-15,23-24,29,31-35,45,51H,7-8,11,16-22,42-43H2,1-4H3,(H2,44,52)(H,46,57)(H,47,53)(H,48,56)(H,49,54)(H,50,55)/t29-,31+,32+,33-,34-,35-/m0/s1
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47n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86308
PNG
(WRYMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C41H61N11O7S2/c1-23(2)34(40(59)48-30(35(43)54)15-18-60-3)52-38(57)32(16-19-61-4)50-39(58)33(20-24-11-13-26(53)14-12-24)51-37(56)31(10-7-17-46-41(44)45)49-36(55)28(42)21-25-22-47-29-9-6-5-8-27(25)29/h5-6,8-9,11-14,22-23,28,30-34,47,53H,7,10,15-21,42H2,1-4H3,(H2,43,54)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,57)(H4,44,45,46)/t28-,30+,31+,32-,33-,34-/m0/s1
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55n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86300
PNG
(WKYM(F/W)m-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H61N9O7S2/c1-62-22-19-35(40(48)56)50-44(60)38(24-28-10-4-3-5-11-28)54-43(59)37(20-23-63-2)52-45(61)39(25-29-15-17-31(55)18-16-29)53-42(58)36(14-8-9-21-46)51-41(57)33(47)26-30-27-49-34-13-7-6-12-32(30)34/h3-7,10-13,15-18,27,33,35-39,49,55H,8-9,14,19-26,46-47H2,1-2H3,(H2,48,56)(H,50,60)(H,51,57)(H,52,61)(H,53,58)(H,54,59)/t33-,35+,36+,37-,38-,39-/m0/s1
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57n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86302
PNG
(WDYMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C39H54N8O9S2/c1-21(2)33(39(56)43-28(34(41)51)13-15-57-3)47-36(53)29(14-16-58-4)44-37(54)30(17-22-9-11-24(48)12-10-22)46-38(55)31(19-32(49)50)45-35(52)26(40)18-23-20-42-27-8-6-5-7-25(23)27/h5-12,20-21,26,28-31,33,42,48H,13-19,40H2,1-4H3,(H2,41,51)(H,43,56)(H,44,54)(H,45,52)(H,46,55)(H,47,53)(H,49,50)/t26-,28+,29-,30-,31+,33-/m0/s1
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99n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86303
PNG
(WKHMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C38H59N11O6S2/c1-22(2)32(38(55)45-28(33(41)50)12-15-56-3)49-36(53)30(13-16-57-4)47-37(54)31(18-24-20-42-21-44-24)48-35(52)29(11-7-8-14-39)46-34(51)26(40)17-23-19-43-27-10-6-5-9-25(23)27/h5-6,9-10,19-22,26,28-32,43H,7-8,11-18,39-40H2,1-4H3,(H2,41,50)(H,42,44)(H,45,55)(H,46,51)(H,47,54)(H,48,52)(H,49,53)/t26-,28+,29+,30-,31-,32-/m0/s1
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282n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86306
PNG
(WEYMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C40H56N8O9S2/c1-22(2)34(40(57)44-29(35(42)52)15-17-58-3)48-38(55)31(16-18-59-4)46-39(56)32(19-23-9-11-25(49)12-10-23)47-37(54)30(13-14-33(50)51)45-36(53)27(41)20-24-21-43-28-8-6-5-7-26(24)28/h5-12,21-22,27,29-32,34,43,49H,13-20,41H2,1-4H3,(H2,42,52)(H,44,57)(H,45,53)(H,46,56)(H,47,54)(H,48,55)(H,50,51)/t27-,29+,30+,31-,32-,34-/m0/s1
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323n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86305
PNG
(YMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C24H39N5O5S2/c1-14(2)20(24(34)27-18(21(26)31)9-11-35-3)29-23(33)19(10-12-36-4)28-22(32)17(25)13-15-5-7-16(30)8-6-15/h5-8,14,17-20,30H,9-13,25H2,1-4H3,(H2,26,31)(H,27,34)(H,28,32)(H,29,33)/t17-,18+,19-,20-/m0/s1
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567n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86307
PNG
(WKYMYm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H61N9O8S2/c1-63-21-18-35(40(48)57)50-44(61)38(23-27-10-14-30(55)15-11-27)54-43(60)37(19-22-64-2)52-45(62)39(24-28-12-16-31(56)17-13-28)53-42(59)36(9-5-6-20-46)51-41(58)33(47)25-29-26-49-34-8-4-3-7-32(29)34/h3-4,7-8,10-17,26,33,35-39,49,55-56H,5-6,9,18-25,46-47H2,1-2H3,(H2,48,57)(H,50,61)(H,51,58)(H,52,62)(H,53,59)(H,54,60)/t33-,35+,36+,37-,38-,39-/m0/s1
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671n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86304
PNG
(WKDMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C36H57N9O8S2/c1-20(2)30(36(53)41-25(31(39)48)12-15-54-3)45-34(51)27(13-16-55-4)43-35(52)28(18-29(46)47)44-33(50)26(11-7-8-14-37)42-32(49)23(38)17-21-19-40-24-10-6-5-9-22(21)24/h5-6,9-10,19-20,23,25-28,30,40H,7-8,11-18,37-38H2,1-4H3,(H2,39,48)(H,41,53)(H,42,49)(H,43,52)(H,44,50)(H,45,51)(H,46,47)/t23-,25+,26+,27-,28-,30-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM86296
PNG
(WKEMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C37H59N9O8S2/c1-21(2)31(37(54)42-26(32(40)49)14-17-55-3)46-36(53)29(15-18-56-4)45-35(52)28(12-13-30(47)48)44-34(51)27(11-7-8-16-38)43-33(50)24(39)19-22-20-41-25-10-6-5-9-23(22)25/h5-6,9-10,20-21,24,26-29,31,41H,7-8,11-19,38-39H2,1-4H3,(H2,40,49)(H,42,54)(H,43,50)(H,44,51)(H,45,52)(H,46,53)(H,47,48)/t24-,26+,27+,28-,29-,31-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Src


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Ret


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Her4


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Her4


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Abl1


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50331095
PNG
(CHEMBL1289494 | Tivozanib | US10464902, Tivozanib)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)
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n/an/a 0.160n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM25117
PNG
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
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n/an/a 0.25n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50331091
PNG
(AG-028262 | CHEMBL1289925 | N-methyl-6-(2-(1-methy...)
Show SMILES CNC(=O)c1csc2cc(Oc3ccnc4cc(sc34)C3=NCCN3C)ccc12
Show InChI InChI=1S/C21H18N4O2S2/c1-22-21(26)14-11-28-17-9-12(3-4-13(14)17)27-16-5-6-23-15-10-18(29-19(15)16)20-24-7-8-25(20)2/h3-6,9-11H,7-8H2,1-2H3,(H,22,26)
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n/an/a 0.340n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Abl1


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50355198
PNG
(CHEMBL1835530)
Show SMILES COc1ccc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C23H19N7OS/c1-15-4-3-5-20(26-15)22-19(16-6-11-21-24-14-25-29(21)12-16)13-30(28-22)23(32)27-17-7-9-18(31-2)10-8-17/h3-14H,1-2H3,(H,27,32)
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n/an/a 0.570n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem Lett 21: 6049-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.064
BindingDB Entry DOI: 10.7270/Q2PG1SQZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.600n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of Src kinase (unknown origin)


Bioorg Med Chem 17: 3152-61 (2009)


Article DOI: 10.1016/j.bmc.2009.02.054
BindingDB Entry DOI: 10.7270/Q2V9880T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Ret


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Src


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM185584
PNG
(US9156852, 1 | USRE47451, Example 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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n/an/a 1n/an/an/an/an/an/a



Hanmi Pharm. Co., Ltd

US Patent


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


US Patent USRE47451 (2019)

More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM185584
PNG
(US9156852, 1 | USRE47451, Example 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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n/an/a 1n/an/an/an/an/an/a



Hanmi Pharm. Co., Ltd

US Patent


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profiling Servic...


US Patent US9156852 (2015)


BindingDB Entry DOI: 10.7270/Q24T6H4D
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 1.20n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of Src kinase (unknown origin)


Bioorg Med Chem 17: 3152-61 (2009)


Article DOI: 10.1016/j.bmc.2009.02.054
BindingDB Entry DOI: 10.7270/Q2V9880T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50331090
PNG
(4-((5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl...)
Show SMILES COc1ccccc1NC(=O)c1ccc(CSc2nnc3c(n2)[nH]c2ccccc32)cc1
Show InChI InChI=1S/C24H19N5O2S/c1-31-20-9-5-4-8-19(20)26-23(30)16-12-10-15(11-13-16)14-32-24-27-22-21(28-29-24)17-6-2-3-7-18(17)25-22/h2-13H,14H2,1H3,(H,26,30)(H,25,27,29)
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n/an/a 1.60n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM185584
PNG
(US9156852, 1 | USRE47451, Example 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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n/an/a 2n/an/an/an/an/an/a



Hanmi Pharm. Co., Ltd

US Patent


Assay Description
The compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profiling Servic...


US Patent US9156852 (2015)


BindingDB Entry DOI: 10.7270/Q24T6H4D
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM185584
PNG
(US9156852, 1 | USRE47451, Example 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
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n/an/a 2n/an/an/an/an/an/a



Hanmi Pharm. Co., Ltd

US Patent


Assay Description
As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...


US Patent USRE47451 (2019)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of FGFR2


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50355189
PNG
(CHEMBL1835622)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C22H15F2N7S/c1-13-3-2-4-19(27-13)21-16(14-5-8-20-25-12-26-30(20)10-14)11-31(29-21)22(32)28-15-6-7-17(23)18(24)9-15/h2-12H,1H3,(H,28,32)
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n/an/a 2.12n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem Lett 21: 6049-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.064
BindingDB Entry DOI: 10.7270/Q2PG1SQZ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50355206
PNG
(CHEMBL1835522)
Show SMILES COc1cccc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show InChI InChI=1S/C23H19N7OS/c1-15-5-3-8-20(26-15)22-19(16-9-10-21-24-14-25-29(21)12-16)13-30(28-22)23(32)27-17-6-4-7-18(11-17)31-2/h3-14H,1-2H3,(H,27,32)
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n/an/a 2.26n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem Lett 21: 6049-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.064
BindingDB Entry DOI: 10.7270/Q2PG1SQZ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50355209
PNG
(CHEMBL1835519)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1cccc(Cl)c1
Show InChI InChI=1S/C22H16ClN7S/c1-14-4-2-7-19(26-14)21-18(15-8-9-20-24-13-25-29(20)11-15)12-30(28-21)22(31)27-17-6-3-5-16(23)10-17/h2-13H,1H3,(H,27,31)
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n/an/a 2.37n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem Lett 21: 6049-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.064
BindingDB Entry DOI: 10.7270/Q2PG1SQZ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50355181
PNG
(CHEMBL1835630)
Show SMILES COc1cc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc(OC)c1
Show InChI InChI=1S/C24H21N7O2S/c1-15-5-4-6-21(27-15)23-20(16-7-8-22-25-14-26-30(22)12-16)13-31(29-23)24(34)28-17-9-18(32-2)11-19(10-17)33-3/h4-14H,1-3H3,(H,28,34)
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n/an/a 2.49n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem Lett 21: 6049-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.064
BindingDB Entry DOI: 10.7270/Q2PG1SQZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Flt4


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50355175
PNG
(CHEMBL1835112)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C22H17N7S/c1-15-6-5-9-19(25-15)21-18(16-10-11-20-23-14-24-28(20)12-16)13-29(27-21)22(30)26-17-7-3-2-4-8-17/h2-14H,1H3,(H,26,30)
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n/an/a 2.82n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem Lett 21: 6049-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.064
BindingDB Entry DOI: 10.7270/Q2PG1SQZ
More data for this
Ligand-Target Pair
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