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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 6050   
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
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106562
PNG
(US8586600, III-14)
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H20ClF3N6O2/c1-15-4-5-16(11-22(15)36-25-32-10-8-20(35-25)17-3-2-9-31-14-17)24(38)33-18-6-7-21(34-23(37)13-27)19(12-18)26(28,29)30/h2-12,14H,13H2,1H3,(H,33,38)(H,34,37)(H,32,35,36)
PDB

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US Patent
n/an/a 0.730n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106560
PNG
(US8586600, II-55)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-10-22(17-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)36-28(42)20-9-11-25(23(16-20)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
PDB

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n/an/a 1.40n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106553
PNG
(US8586600, II-2)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)C=C)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21F3N6O2/c1-3-24(37)34-22-9-7-17(13-20(22)27(28,29)30)25(38)33-19-8-6-16(2)23(14-19)36-26-32-12-10-21(35-26)18-5-4-11-31-15-18/h3-15H,1H2,2H3,(H,33,38)(H,34,37)(H,32,35,36)
PDB

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n/an/a 2.20n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106561
PNG
(US8586600, III-6)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-9-20(16-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)28(42)36-22-10-11-25(23(17-22)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
PDB

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n/an/a 5.90n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106565
PNG
(US8586600, II-45)
Show SMILES Cc1ccc(NC(=O)c2ccc3CN(CCc3c2)C(=O)C=C)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C29H26N6O2/c1-3-27(36)35-14-11-20-15-21(7-8-23(20)18-35)28(37)32-24-9-6-19(2)26(16-24)34-29-31-13-10-25(33-29)22-5-4-12-30-17-22/h3-10,12-13,15-17H,1,11,14,18H2,2H3,(H,32,37)(H,31,33,34)
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n/an/a 7.90n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106568
PNG
(US8586600, II-8)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3C(=O)C=CC3=O)cc2)cc1Nc1nccc(n1)-c1cccnc1 |c:16|
Show InChI InChI=1S/C28H22N6O3/c1-18-4-9-22(15-24(18)33-28-30-14-12-23(32-28)21-3-2-13-29-16-21)31-27(37)20-7-5-19(6-8-20)17-34-25(35)10-11-26(34)36/h2-16H,17H2,1H3,(H,31,37)(H,30,32,33)
PDB

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n/an/a 10.7n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106558
PNG
(US8586600, II-53)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C25H21ClN6O2/c1-16-4-7-20(30-24(34)17-5-8-19(9-6-17)29-23(33)14-26)13-22(16)32-25-28-12-10-21(31-25)18-3-2-11-27-15-18/h2-13,15H,14H2,1H3,(H,29,33)(H,30,34)(H,28,31,32)
PDB

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n/an/a 16.4n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106564
PNG
(US8586600, II-23)
Show SMILES Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)C=C)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C25H22N6O3S/c1-3-35(33,34)31-20-10-7-18(8-11-20)24(32)28-21-9-6-17(2)23(15-21)30-25-27-14-12-22(29-25)19-5-4-13-26-16-19/h3-16,31H,1H2,2H3,(H,28,32)(H,27,29,30)
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n/an/a 18.8n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106563
PNG
(US8586600, II-6)
Show SMILES Cc1ccc(NC(=O)c2ccc(CNC(=O)C=C)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H24N6O2/c1-3-25(34)30-16-19-7-9-20(10-8-19)26(35)31-22-11-6-18(2)24(15-22)33-27-29-14-12-23(32-27)21-5-4-13-28-17-21/h3-15,17H,1,16H2,2H3,(H,30,34)(H,31,35)(H,29,32,33)
PDB

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n/an/a 29.8n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106562
PNG
(US8586600, III-14)
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H20ClF3N6O2/c1-15-4-5-16(11-22(15)36-25-32-10-8-20(35-25)17-3-2-9-31-14-17)24(38)33-18-6-7-21(34-23(37)13-27)19(12-18)26(28,29)30/h2-12,14H,13H2,1H3,(H,33,38)(H,34,37)(H,32,35,36)
PDB

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n/an/a 72n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106562
PNG
(US8586600, III-14)
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H20ClF3N6O2/c1-15-4-5-16(11-22(15)36-25-32-10-8-20(35-25)17-3-2-9-31-14-17)24(38)33-18-6-7-21(34-23(37)13-27)19(12-18)26(28,29)30/h2-12,14H,13H2,1H3,(H,33,38)(H,34,37)(H,32,35,36)
PDB

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n/an/a 72.4n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106553
PNG
(US8586600, II-2)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)C=C)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21F3N6O2/c1-3-24(37)34-22-9-7-17(13-20(22)27(28,29)30)25(38)33-19-8-6-16(2)23(14-19)36-26-32-12-10-21(35-26)18-5-4-11-31-15-18/h3-15H,1H2,2H3,(H,33,38)(H,34,37)(H,32,35,36)
PDB

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n/an/a 83n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106567
PNG
(US8586600, II-1)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)C=C)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C26H22N6O2/c1-3-24(33)29-20-10-7-18(8-11-20)25(34)30-21-9-6-17(2)23(15-21)32-26-28-14-12-22(31-26)19-5-4-13-27-16-19/h3-16H,1H2,2H3,(H,29,33)(H,30,34)(H,28,31,32)
PDB

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n/an/a 173n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106556
PNG
(US8586600, II-41)
Show SMILES Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C28H22ClN7O3S/c1-18-4-7-22(15-25(18)35-28-31-14-12-24(34-28)20-3-2-13-30-16-20)33-27(37)19-5-8-21(9-6-19)36-40(38,39)23-10-11-26(29)32-17-23/h2-17,36H,1H3,(H,33,37)(H,31,34,35)
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n/an/a 173n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106559
PNG
(US8586600, II-54)
Show SMILES CC(Cl)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C26H23ClN6O2/c1-16-5-8-21(31-25(35)18-6-9-20(10-7-18)30-24(34)17(2)27)14-23(16)33-26-29-13-11-22(32-26)19-4-3-12-28-15-19/h3-15,17H,1-2H3,(H,30,34)(H,31,35)(H,29,32,33)
PDB

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n/an/a 185n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106562
PNG
(US8586600, III-14)
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H20ClF3N6O2/c1-15-4-5-16(11-22(15)36-25-32-10-8-20(35-25)17-3-2-9-31-14-17)24(38)33-18-6-7-21(34-23(37)13-27)19(12-18)26(28,29)30/h2-12,14H,13H2,1H3,(H,33,38)(H,34,37)(H,32,35,36)
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n/an/a 205n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106561
PNG
(US8586600, III-6)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-9-20(16-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)28(42)36-22-10-11-25(23(17-22)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
PDB

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n/an/a 216n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106558
PNG
(US8586600, II-53)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C25H21ClN6O2/c1-16-4-7-20(30-24(34)17-5-8-19(9-6-17)29-23(33)14-26)13-22(16)32-25-28-12-10-21(31-25)18-3-2-11-27-15-18/h2-13,15H,14H2,1H3,(H,29,33)(H,30,34)(H,28,31,32)
PDB

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n/an/a 260n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106558
PNG
(US8586600, II-53)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C25H21ClN6O2/c1-16-4-7-20(30-24(34)17-5-8-19(9-6-17)29-23(33)14-26)13-22(16)32-25-28-12-10-21(31-25)18-3-2-11-27-15-18/h2-13,15H,14H2,1H3,(H,29,33)(H,30,34)(H,28,31,32)
PDB

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US Patent
n/an/a 937n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106566
PNG
(US8586600, II-52)
Show SMILES Cc1cc(nc(Nc2cc(NC(=O)c3ccc(NC(=O)C=C)cc3)ccc2C)n1)-c1cccnc1
Show InChI InChI=1S/C27H24N6O2/c1-4-25(34)30-21-11-8-19(9-12-21)26(35)31-22-10-7-17(2)23(15-22)32-27-29-18(3)14-24(33-27)20-6-5-13-28-16-20/h4-16H,1H2,2-3H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106561
PNG
(US8586600, III-6)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-9-20(16-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)28(42)36-22-10-11-25(23(17-22)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
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n/an/a 1.57E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106562
PNG
(US8586600, III-14)
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H20ClF3N6O2/c1-15-4-5-16(11-22(15)36-25-32-10-8-20(35-25)17-3-2-9-31-14-17)24(38)33-18-6-7-21(34-23(37)13-27)19(12-18)26(28,29)30/h2-12,14H,13H2,1H3,(H,33,38)(H,34,37)(H,32,35,36)
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n/an/a 2.01E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM106562
PNG
(US8586600, III-14)
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H20ClF3N6O2/c1-15-4-5-16(11-22(15)36-25-32-10-8-20(35-25)17-3-2-9-31-14-17)24(38)33-18-6-7-21(34-23(37)13-27)19(12-18)26(28,29)30/h2-12,14H,13H2,1H3,(H,33,38)(H,34,37)(H,32,35,36)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may be screened for their ability to inhibit KDR using a standard coupled enzyme assay (Fox et al., Protein Sci., (1998) 7, 2249).


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM106564
PNG
(US8586600, II-23)
Show SMILES Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)C=C)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C25H22N6O3S/c1-3-35(33,34)31-20-10-7-18(8-11-20)24(32)28-21-9-6-17(2)23(15-21)30-25-27-14-12-22(29-25)19-5-4-13-26-16-19/h3-16,31H,1H2,2H3,(H,28,32)(H,27,29,30)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may be screened for their ability to inhibit KDR using a standard coupled enzyme assay (Fox et al., Protein Sci., (1998) 7, 2249).


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM106566
PNG
(US8586600, II-52)
Show SMILES Cc1cc(nc(Nc2cc(NC(=O)c3ccc(NC(=O)C=C)cc3)ccc2C)n1)-c1cccnc1
Show InChI InChI=1S/C27H24N6O2/c1-4-25(34)30-21-11-8-19(9-12-21)26(35)31-22-10-7-17(2)23(15-22)32-27-29-18(3)14-24(33-27)20-6-5-13-28-16-20/h4-16H,1H2,2-3H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may be screened for their ability to inhibit KDR using a standard coupled enzyme assay (Fox et al., Protein Sci., (1998) 7, 2249).


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM106553
PNG
(US8586600, II-2)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)C=C)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21F3N6O2/c1-3-24(37)34-22-9-7-17(13-20(22)27(28,29)30)25(38)33-19-8-6-16(2)23(14-19)36-26-32-12-10-21(35-26)18-5-4-11-31-15-18/h3-15H,1H2,2H3,(H,33,38)(H,34,37)(H,32,35,36)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may be screened for their ability to inhibit KDR using a standard coupled enzyme assay (Fox et al., Protein Sci., (1998) 7, 2249).


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106561
PNG
(US8586600, III-6)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-9-20(16-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)28(42)36-22-10-11-25(23(17-22)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
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n/an/a 3.99E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM106560
PNG
(US8586600, II-55)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-10-22(17-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)36-28(42)20-9-11-25(23(16-20)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may be screened for their ability to inhibit KDR using a standard coupled enzyme assay (Fox et al., Protein Sci., (1998) 7, 2249).


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM106561
PNG
(US8586600, III-6)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-9-20(16-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)28(42)36-22-10-11-25(23(17-22)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
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n/an/a 8.10E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may be screened for their ability to inhibit KDR using a standard coupled enzyme assay (Fox et al., Protein Sci., (1998) 7, 2249).


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106560
PNG
(US8586600, II-55)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-10-22(17-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)36-28(42)20-9-11-25(23(16-20)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
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n/an/a 9.15E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM106563
PNG
(US8586600, II-6)
Show SMILES Cc1ccc(NC(=O)c2ccc(CNC(=O)C=C)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H24N6O2/c1-3-25(34)30-16-19-7-9-20(10-8-19)26(35)31-22-11-6-18(2)24(15-22)33-27-29-14-12-23(32-27)21-5-4-13-28-17-21/h3-15,17H,1,16H2,2H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may be screened for their ability to inhibit KDR using a standard coupled enzyme assay (Fox et al., Protein Sci., (1998) 7, 2249).


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106555
PNG
(US8586600, II-40)
Show SMILES Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cnccc3Cl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C28H22ClN7O3S/c1-18-4-7-22(15-25(18)35-28-32-14-11-24(34-28)20-3-2-12-30-16-20)33-27(37)19-5-8-21(9-6-19)36-40(38,39)26-17-31-13-10-23(26)29/h2-17,36H,1H3,(H,33,37)(H,32,34,35)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM106565
PNG
(US8586600, II-45)
Show SMILES Cc1ccc(NC(=O)c2ccc3CN(CCc3c2)C(=O)C=C)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C29H26N6O2/c1-3-27(36)35-14-11-20-15-21(7-8-23(20)18-35)28(37)32-24-9-6-19(2)26(16-24)34-29-31-13-10-25(33-29)22-5-4-12-30-17-22/h3-10,12-13,15-17H,1,11,14,18H2,2H3,(H,32,37)(H,31,33,34)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may be screened for their ability to inhibit KDR using a standard coupled enzyme assay (Fox et al., Protein Sci., (1998) 7, 2249).


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106559
PNG
(US8586600, II-54)
Show SMILES CC(Cl)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C26H23ClN6O2/c1-16-5-8-21(31-25(35)18-6-9-20(10-7-18)30-24(34)17(2)27)14-23(16)33-26-29-13-11-22(32-26)19-4-3-12-28-15-19/h3-15,17H,1-2H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair