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32 similar compounds to monomer 50073587

Wt: 476.5
BDBM50044675
Wt: 474.5
BDBM50044667
Wt: 490.5
BDBM50044668
Wt: 494.5
BDBM50044669
Wt: 489.6
BDBM50044670
Wt: 542.5
BDBM50044672
Wt: 462.5
BDBM50044673
Wt: 468.9
BDBM50044650
Wt: 500.5
BDBM50044651
Wt: 452.5
BDBM50044652
Wt: 448.5
BDBM50044653
Wt: 505.6
BDBM50044654
Wt: 464.5
BDBM50044656
Wt: 434.5
BDBM50044657
Wt: 460.5
BDBM50044662
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 88 hits for monomerid = 50044675,50044667,50044668,50044669,50044670,50044672,50044673,50044650,50044651,50044652,50044653,50044654,50044656,50044657,50044662   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50044669
PNG
(CHEMBL3353356)
Show SMILES Fc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C30H27FN4O2/c31-22-7-10-27-24(16-22)30(29(36)32-27)17-25(30)21-6-8-23-26(33-34-28(23)15-21)9-5-19-1-3-20(4-2-19)18-35-11-13-37-14-12-35/h1-10,15-16,25H,11-14,17-18H2,(H,32,36)(H,33,34)/b9-5+/t25-,30-/s2
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n/an/a 1.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50044670
PNG
(CHEMBL3353359)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1
Show InChI InChI=1/C31H31N5O/c1-35-14-16-36(17-15-35)20-22-8-6-21(7-9-22)10-13-27-24-12-11-23(18-29(24)34-33-27)26-19-31(26)25-4-2-3-5-28(25)32-30(31)37/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,37)(H,33,34)/b13-10+/t26-,31-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50044656
PNG
(CHEMBL3353348)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) using AMMC substrate after 45 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50044675
PNG
(CHEMBL3353354)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C30H28N4O2/c35-29-30(24-3-1-2-4-27(24)31-29)18-25(30)22-10-11-23-26(32-33-28(23)17-22)12-9-20-5-7-21(8-6-20)19-34-13-15-36-16-14-34/h1-12,17,25H,13-16,18-19H2,(H,31,35)(H,32,33)/b12-9+/t25-,30-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) using AMMC substrate after 45 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50044657
PNG
(CHEMBL3353347)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1
Show InChI InChI=1/C28H26N4O/c1-32(2)17-19-9-7-18(8-10-19)11-14-24-21-13-12-20(15-26(21)31-30-24)23-16-28(23)22-5-3-4-6-25(22)29-27(28)33/h3-15,23H,16-17H2,1-2H3,(H,29,33)(H,30,31)/b14-11+/t23-,28-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50044657
PNG
(CHEMBL3353347)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1
Show InChI InChI=1/C28H26N4O/c1-32(2)17-19-9-7-18(8-10-19)11-14-24-21-13-12-20(15-26(21)31-30-24)23-16-28(23)22-5-3-4-6-25(22)29-27(28)33/h3-15,23H,16-17H2,1-2H3,(H,29,33)(H,30,31)/b14-11+/t23-,28-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin) using CEC substrate after 15 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

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


(Homo sapiens (human))
BDBM50044657
PNG
(CHEMBL3353347)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1
Show InChI InChI=1/C28H26N4O/c1-32(2)17-19-9-7-18(8-10-19)11-14-24-21-13-12-20(15-26(21)31-30-24)23-16-28(23)22-5-3-4-6-25(22)29-27(28)33/h3-15,23H,16-17H2,1-2H3,(H,29,33)(H,30,31)/b14-11+/t23-,28-/s2
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n/an/a 110n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50044657
PNG
(CHEMBL3353347)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1
Show InChI InChI=1/C28H26N4O/c1-32(2)17-19-9-7-18(8-10-19)11-14-24-21-13-12-20(15-26(21)31-30-24)23-16-28(23)22-5-3-4-6-25(22)29-27(28)33/h3-15,23H,16-17H2,1-2H3,(H,29,33)(H,30,31)/b14-11+/t23-,28-/s2
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n/an/a 11n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (human))
BDBM50044657
PNG
(CHEMBL3353347)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1
Show InChI InChI=1/C28H26N4O/c1-32(2)17-19-9-7-18(8-10-19)11-14-24-21-13-12-20(15-26(21)31-30-24)23-16-28(23)22-5-3-4-6-25(22)29-27(28)33/h3-15,23H,16-17H2,1-2H3,(H,29,33)(H,30,31)/b14-11+/t23-,28-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (human))
BDBM50044657
PNG
(CHEMBL3353347)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1
Show InChI InChI=1/C28H26N4O/c1-32(2)17-19-9-7-18(8-10-19)11-14-24-21-13-12-20(15-26(21)31-30-24)23-16-28(23)22-5-3-4-6-25(22)29-27(28)33/h3-15,23H,16-17H2,1-2H3,(H,29,33)(H,30,31)/b14-11+/t23-,28-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3 (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50044657
PNG
(CHEMBL3353347)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1
Show InChI InChI=1/C28H26N4O/c1-32(2)17-19-9-7-18(8-10-19)11-14-24-21-13-12-20(15-26(21)31-30-24)23-16-28(23)22-5-3-4-6-25(22)29-27(28)33/h3-15,23H,16-17H2,1-2H3,(H,29,33)(H,30,31)/b14-11+/t23-,28-/s2
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n/an/a 6.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50044656
PNG
(CHEMBL3353348)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/s2
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n/an/a 15n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50044651
PNG
(CHEMBL3353349)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC(F)F)cc23)cc1
Show InChI InChI=1/C29H26F2N4O2/c1-35(2)16-18-5-3-17(4-6-18)7-11-24-21-10-8-19(13-26(21)34-33-24)23-15-29(23)22-14-20(37-28(30)31)9-12-25(22)32-27(29)36/h3-14,23,28H,15-16H2,1-2H3,(H,32,36)(H,33,34)/b11-7+/t23-,29-/s2
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n/an/a 33n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50044675
PNG
(CHEMBL3353354)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C30H28N4O2/c35-29-30(24-3-1-2-4-27(24)31-29)18-25(30)22-10-11-23-26(32-33-28(23)17-22)12-9-20-5-7-21(8-6-20)19-34-13-15-36-16-14-34/h1-12,17,25H,13-16,18-19H2,(H,31,35)(H,32,33)/b12-9+/t25-,30-/s2
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n/an/a 49n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50044672
PNG
(CHEMBL3353358)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1
Show InChI InChI=1/C31H28F2N4O3/c1-39-20-4-7-28-23(15-20)31(30(38)34-28)16-24(31)19-3-5-21-27(35-36-29(21)14-19)6-2-18-12-25(32)22(26(33)13-18)17-37-8-10-40-11-9-37/h2-7,12-15,24H,8-11,16-17H2,1H3,(H,34,38)(H,35,36)/b6-2+/t24-,31-/s2
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n/an/a 51n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50044670
PNG
(CHEMBL3353359)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1
Show InChI InChI=1/C31H31N5O/c1-35-14-16-36(17-15-35)20-22-8-6-21(7-9-22)10-13-27-24-12-11-23(18-29(24)34-33-27)26-19-31(26)25-4-2-3-5-28(25)32-30(31)37/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,37)(H,33,34)/b13-10+/t26-,31-/s2
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n/an/a 180n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50044656
PNG
(CHEMBL3353348)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin) using CEC substrate after 15 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50044675
PNG
(CHEMBL3353354)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C30H28N4O2/c35-29-30(24-3-1-2-4-27(24)31-29)18-25(30)22-10-11-23-26(32-33-28(23)17-22)12-9-20-5-7-21(8-6-20)19-34-13-15-36-16-14-34/h1-12,17,25H,13-16,18-19H2,(H,31,35)(H,32,33)/b12-9+/t25-,30-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin) using CEC substrate after 15 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50044669
PNG
(CHEMBL3353356)
Show SMILES Fc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C30H27FN4O2/c31-22-7-10-27-24(16-22)30(29(36)32-27)17-25(30)21-6-8-23-26(33-34-28(23)15-21)9-5-19-1-3-20(4-2-19)18-35-11-13-37-14-12-35/h1-10,15-16,25H,11-14,17-18H2,(H,32,36)(H,33,34)/b9-5+/t25-,30-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin) using CEC substrate after 15 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50044670
PNG
(CHEMBL3353359)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1
Show InChI InChI=1/C31H31N5O/c1-35-14-16-36(17-15-35)20-22-8-6-21(7-9-22)10-13-27-24-12-11-23(18-29(24)34-33-27)26-19-31(26)25-4-2-3-5-28(25)32-30(31)37/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,37)(H,33,34)/b13-10+/t26-,31-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin) using CEC substrate after 15 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50044654
PNG
(CHEMBL3353346)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCCC6)nc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C31H31N5O2/c1-38-23-9-12-28-25(16-23)31(30(37)33-28)17-26(31)21-7-10-24-27(34-35-29(24)15-21)11-6-20-5-8-22(32-18-20)19-36-13-3-2-4-14-36/h5-12,15-16,18,26H,2-4,13-14,17,19H2,1H3,(H,33,37)(H,34,35)/b11-6+/t26-,31-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50044656
PNG
(CHEMBL3353348)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/s2
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n/an/a 850n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50044675
PNG
(CHEMBL3353354)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C30H28N4O2/c35-29-30(24-3-1-2-4-27(24)31-29)18-25(30)22-10-11-23-26(32-33-28(23)17-22)12-9-20-5-7-21(8-6-20)19-34-13-15-36-16-14-34/h1-12,17,25H,13-16,18-19H2,(H,31,35)(H,32,33)/b12-9+/t25-,30-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50044669
PNG
(CHEMBL3353356)
Show SMILES Fc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C30H27FN4O2/c31-22-7-10-27-24(16-22)30(29(36)32-27)17-25(30)21-6-8-23-26(33-34-28(23)15-21)9-5-19-1-3-20(4-2-19)18-35-11-13-37-14-12-35/h1-10,15-16,25H,11-14,17-18H2,(H,32,36)(H,33,34)/b9-5+/t25-,30-/s2
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n/an/a 500n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50044670
PNG
(CHEMBL3353359)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1
Show InChI InChI=1/C31H31N5O/c1-35-14-16-36(17-15-35)20-22-8-6-21(7-9-22)10-13-27-24-12-11-23(18-29(24)34-33-27)26-19-31(26)25-4-2-3-5-28(25)32-30(31)37/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,37)(H,33,34)/b13-10+/t26-,31-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50044654
PNG
(CHEMBL3353346)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCCC6)nc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C31H31N5O2/c1-38-23-9-12-28-25(16-23)31(30(37)33-28)17-26(31)21-7-10-24-27(34-35-29(24)15-21)11-6-20-5-8-22(32-18-20)19-36-13-3-2-4-14-36/h5-12,15-16,18,26H,2-4,13-14,17,19H2,1H3,(H,33,37)(H,34,35)/b11-6+/t26-,31-/s2
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n/an/a 600n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50044656
PNG
(CHEMBL3353348)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/s2
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n/an/a 750n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50044675
PNG
(CHEMBL3353354)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C30H28N4O2/c35-29-30(24-3-1-2-4-27(24)31-29)18-25(30)22-10-11-23-26(32-33-28(23)17-22)12-9-20-5-7-21(8-6-20)19-34-13-15-36-16-14-34/h1-12,17,25H,13-16,18-19H2,(H,31,35)(H,32,33)/b12-9+/t25-,30-/s2
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n/an/a 1.80E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50044667
PNG
(CHEMBL3353362)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C31H30N4O/c36-30-31(25-6-2-3-7-28(25)32-30)19-26(31)23-13-14-24-27(33-34-29(24)18-23)15-12-21-8-10-22(11-9-21)20-35-16-4-1-5-17-35/h2-3,6-15,18,26H,1,4-5,16-17,19-20H2,(H,32,36)(H,33,34)/b15-12+/t26-,31-/s2
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n/an/a 14n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50044669
PNG
(CHEMBL3353356)
Show SMILES Fc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C30H27FN4O2/c31-22-7-10-27-24(16-22)30(29(36)32-27)17-25(30)21-6-8-23-26(33-34-28(23)15-21)9-5-19-1-3-20(4-2-19)18-35-11-13-37-14-12-35/h1-10,15-16,25H,11-14,17-18H2,(H,32,36)(H,33,34)/b9-5+/t25-,30-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) using AMMC substrate after 45 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50044670
PNG
(CHEMBL3353359)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1
Show InChI InChI=1/C31H31N5O/c1-35-14-16-36(17-15-35)20-22-8-6-21(7-9-22)10-13-27-24-12-11-23(18-29(24)34-33-27)26-19-31(26)25-4-2-3-5-28(25)32-30(31)37/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,37)(H,33,34)/b13-10+/t26-,31-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) using AMMC substrate after 45 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50044656
PNG
(CHEMBL3353348)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using BFC substrate after 30 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50044675
PNG
(CHEMBL3353354)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C30H28N4O2/c35-29-30(24-3-1-2-4-27(24)31-29)18-25(30)22-10-11-23-26(32-33-28(23)17-22)12-9-20-5-7-21(8-6-20)19-34-13-15-36-16-14-34/h1-12,17,25H,13-16,18-19H2,(H,31,35)(H,32,33)/b12-9+/t25-,30-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using BFC substrate after 30 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50044669
PNG
(CHEMBL3353356)
Show SMILES Fc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C30H27FN4O2/c31-22-7-10-27-24(16-22)30(29(36)32-27)17-25(30)21-6-8-23-26(33-34-28(23)15-21)9-5-19-1-3-20(4-2-19)18-35-11-13-37-14-12-35/h1-10,15-16,25H,11-14,17-18H2,(H,32,36)(H,33,34)/b9-5+/t25-,30-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using BFC substrate after 30 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50044670
PNG
(CHEMBL3353359)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1
Show InChI InChI=1/C31H31N5O/c1-35-14-16-36(17-15-35)20-22-8-6-21(7-9-22)10-13-27-24-12-11-23(18-29(24)34-33-27)26-19-31(26)25-4-2-3-5-28(25)32-30(31)37/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,37)(H,33,34)/b13-10+/t26-,31-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using BFC substrate after 30 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50044657
PNG
(CHEMBL3353347)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1
Show InChI InChI=1/C28H26N4O/c1-32(2)17-19-9-7-18(8-10-19)11-14-24-21-13-12-20(15-26(21)31-30-24)23-16-28(23)22-5-3-4-6-25(22)29-27(28)33/h3-15,23H,16-17H2,1-2H3,(H,29,33)(H,30,31)/b14-11+/t23-,28-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using BFC substrate after 30 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50044656
PNG
(CHEMBL3353348)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/s2
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n/an/a 19n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50044651
PNG
(CHEMBL3353349)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC(F)F)cc23)cc1
Show InChI InChI=1/C29H26F2N4O2/c1-35(2)16-18-5-3-17(4-6-18)7-11-24-21-10-8-19(13-26(21)34-33-24)23-15-29(23)22-14-20(37-28(30)31)9-12-25(22)32-27(29)36/h3-14,23,28H,15-16H2,1-2H3,(H,32,36)(H,33,34)/b11-7+/t23-,29-/s2
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n/an/a 32n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50044675
PNG
(CHEMBL3353354)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C30H28N4O2/c35-29-30(24-3-1-2-4-27(24)31-29)18-25(30)22-10-11-23-26(32-33-28(23)17-22)12-9-20-5-7-21(8-6-20)19-34-13-15-36-16-14-34/h1-12,17,25H,13-16,18-19H2,(H,31,35)(H,32,33)/b12-9+/t25-,30-/s2
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n/an/a 93n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50044672
PNG
(CHEMBL3353358)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1
Show InChI InChI=1/C31H28F2N4O3/c1-39-20-4-7-28-23(15-20)31(30(38)34-28)16-24(31)19-3-5-21-27(35-36-29(21)14-19)6-2-18-12-25(32)22(26(33)13-18)17-37-8-10-40-11-9-37/h2-7,12-15,24H,8-11,16-17H2,1H3,(H,34,38)(H,35,36)/b6-2+/t24-,31-/s2
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n/an/a 150n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50044670
PNG
(CHEMBL3353359)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1
Show InChI InChI=1/C31H31N5O/c1-35-14-16-36(17-15-35)20-22-8-6-21(7-9-22)10-13-27-24-12-11-23(18-29(24)34-33-27)26-19-31(26)25-4-2-3-5-28(25)32-30(31)37/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,37)(H,33,34)/b13-10+/t26-,31-/s2
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n/an/a 120n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50044667
PNG
(CHEMBL3353362)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C31H30N4O/c36-30-31(25-6-2-3-7-28(25)32-30)19-26(31)23-13-14-24-27(33-34-29(24)18-23)15-12-21-8-10-22(11-9-21)20-35-16-4-1-5-17-35/h2-3,6-15,18,26H,1,4-5,16-17,19-20H2,(H,32,36)(H,33,34)/b15-12+/t26-,31-/s2
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n/an/a 15n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

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


(Homo sapiens (human))
BDBM50044656
PNG
(CHEMBL3353348)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/s2
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n/an/a 910n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

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


(Homo sapiens (human))
BDBM50044651
PNG
(CHEMBL3353349)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC(F)F)cc23)cc1
Show InChI InChI=1/C29H26F2N4O2/c1-35(2)16-18-5-3-17(4-6-18)7-11-24-21-10-8-19(13-26(21)34-33-24)23-15-29(23)22-14-20(37-28(30)31)9-12-25(22)32-27(29)36/h3-14,23,28H,15-16H2,1-2H3,(H,32,36)(H,33,34)/b11-7+/t23-,29-/s2
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n/an/a 4.90E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

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


(Homo sapiens (human))
BDBM50044675
PNG
(CHEMBL3353354)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C30H28N4O2/c35-29-30(24-3-1-2-4-27(24)31-29)18-25(30)22-10-11-23-26(32-33-28(23)17-22)12-9-20-5-7-21(8-6-20)19-34-13-15-36-16-14-34/h1-12,17,25H,13-16,18-19H2,(H,31,35)(H,32,33)/b12-9+/t25-,30-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

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


(Homo sapiens (human))
BDBM50044672
PNG
(CHEMBL3353358)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1
Show InChI InChI=1/C31H28F2N4O3/c1-39-20-4-7-28-23(15-20)31(30(38)34-28)16-24(31)19-3-5-21-27(35-36-29(21)14-19)6-2-18-12-25(32)22(26(33)13-18)17-37-8-10-40-11-9-37/h2-7,12-15,24H,8-11,16-17H2,1H3,(H,34,38)(H,35,36)/b6-2+/t24-,31-/s2
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n/an/a 7.90E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

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


(Homo sapiens (human))
BDBM50044670
PNG
(CHEMBL3353359)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1
Show InChI InChI=1/C31H31N5O/c1-35-14-16-36(17-15-35)20-22-8-6-21(7-9-22)10-13-27-24-12-11-23(18-29(24)34-33-27)26-19-31(26)25-4-2-3-5-28(25)32-30(31)37/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,37)(H,33,34)/b13-10+/t26-,31-/s2
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n/an/a 120n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

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


(Homo sapiens (human))
BDBM50044667
PNG
(CHEMBL3353362)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C31H30N4O/c36-30-31(25-6-2-3-7-28(25)32-30)19-26(31)23-13-14-24-27(33-34-29(24)18-23)15-12-21-8-10-22(11-9-21)20-35-16-4-1-5-17-35/h2-3,6-15,18,26H,1,4-5,16-17,19-20H2,(H,32,36)(H,33,34)/b15-12+/t26-,31-/s2
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n/an/a 12n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50044657
PNG
(CHEMBL3353347)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1
Show InChI InChI=1/C28H26N4O/c1-32(2)17-19-9-7-18(8-10-19)11-14-24-21-13-12-20(15-26(21)31-30-24)23-16-28(23)22-5-3-4-6-25(22)29-27(28)33/h3-15,23H,16-17H2,1-2H3,(H,29,33)(H,30,31)/b14-11+/t23-,28-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50044657
PNG
(CHEMBL3353347)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1
Show InChI InChI=1/C28H26N4O/c1-32(2)17-19-9-7-18(8-10-19)11-14-24-21-13-12-20(15-26(21)31-30-24)23-16-28(23)22-5-3-4-6-25(22)29-27(28)33/h3-15,23H,16-17H2,1-2H3,(H,29,33)(H,30,31)/b14-11+/t23-,28-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay


J Med Chem 58: 130-46 (2015)

More data for this
Ligand-Target Pair
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