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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'loughhead' and Initial = 'dg'   
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
VEGF-receptor 2 and Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM286984
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1
Show InChI InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)
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1.30n/an/an/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Irreversible inhibition of human FGFR2 preincubated with enzyme followed by peptide substrate addition by caliper capillary electrophoresis method


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM286984
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1
Show InChI InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)
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1.60n/an/an/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Irreversible inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated with enzyme followed by peptide substrate addition by ca...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor


(Homo sapiens (Human))
BDBM286984
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1
Show InChI InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)
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2.20n/an/an/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Irreversible inhibition of human FGFR3 preincubated with enzyme followed by peptide substrate addition by caliper capillary electrophoresis method


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor


(Homo sapiens (Human))
BDBM286984
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1
Show InChI InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)
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73n/an/an/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Irreversible inhibition of human FGFR4 preincubated with enzyme followed by peptide substrate addition by caliper capillary electrophoresis method


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238808
PNG
(CHEMBL4102642)
Show SMILES CCN1CCN(CCNc2ncc3cc(-c4cc(OC)cc(OC)c4Cl)c(=O)n(CCc4ccc(NC(=O)C=C)cc4)c3n2)CC1
Show InChI InChI=1S/C34H40ClN7O4/c1-5-30(43)38-25-9-7-23(8-10-25)11-13-42-32-24(19-28(33(42)44)27-20-26(45-3)21-29(46-4)31(27)35)22-37-34(39-32)36-12-14-41-17-15-40(6-2)16-18-41/h5,7-10,19-22H,1,6,11-18H2,2-4H3,(H,38,43)(H,36,37,39)
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n/an/a 0.200n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287008
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCOC3CN(C3)C(=O)C=C)c2n1
Show InChI InChI=1S/C24H25Cl2N5O5/c1-5-18(32)30-11-14(12-30)36-7-6-31-22-13(10-28-24(27-2)29-22)8-15(23(31)33)19-20(25)16(34-3)9-17(35-4)21(19)26/h5,8-10,14H,1,6-7,11-12H2,2-4H3,(H,27,28,29)
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n/an/a 0.400n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM286984
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1
Show InChI InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)
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n/an/a 0.600n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated for 15 mins followed by peptide substrate addition measured after 3 h...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM286381
PNG
(8-(2-((1-acryloylpiperidin-3-yl)oxy)ethyl)-6-(2,6-...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCOC3CCCN(C3)C(=O)C=C)c2n1
Show InChI InChI=1S/C26H29Cl2N5O5/c1-5-20(34)32-8-6-7-16(14-32)38-10-9-33-24-15(13-30-26(29-2)31-24)11-17(25(33)35)21-22(27)18(36-3)12-19(37-4)23(21)28/h5,11-13,16H,1,6-10,14H2,2-4H3,(H,29,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238813
PNG
(CHEMBL4083740)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCCNC(=O)C=C)c2n1
Show InChI InChI=1S/C23H25Cl2N5O4/c1-5-17(31)27-8-6-7-9-30-21-13(12-28-23(26-2)29-21)10-14(22(30)32)18-19(24)15(33-3)11-16(34-4)20(18)25/h5,10-12H,1,6-9H2,2-4H3,(H,27,31)(H,26,28,29)
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n/an/a 0.700n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238811
PNG
(CHEMBL4073347)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NC(CO)CO)nc2n(CCc2ccc(NC(=O)C=C)cc2)c1=O
Show InChI InChI=1S/C29H30ClN5O6/c1-4-25(38)32-19-7-5-17(6-8-19)9-10-35-27-18(14-31-29(34-27)33-20(15-36)16-37)11-23(28(35)39)22-12-21(40-2)13-24(41-3)26(22)30/h4-8,11-14,20,36-37H,1,9-10,15-16H2,2-3H3,(H,32,38)(H,31,33,34)
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n/an/a 0.800n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238823
PNG
(CHEMBL4086567)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCCN3CCN(C)CC3)nc2n(CCc2ccc(NC(=O)C=C)cc2)c1=O
Show InChI InChI=1S/C33H38ClN7O4/c1-5-29(42)37-24-8-6-22(7-9-24)10-12-41-31-23(21-36-33(38-31)35-11-13-40-16-14-39(2)15-17-40)18-27(32(41)43)26-19-25(44-3)20-28(45-4)30(26)34/h5-9,18-21H,1,10-17H2,2-4H3,(H,37,42)(H,35,36,38)
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n/an/a 0.800n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated for 15 mins followed by peptide substrate addition measured after 3 h...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238810
PNG
(CHEMBL4092456)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCCO)nc2n(CCc2ccc(NC(=O)C=C)cc2)c1=O
Show InChI InChI=1S/C28H28ClN5O5/c1-4-24(36)32-19-7-5-17(6-8-19)9-11-34-26-18(16-31-28(33-26)30-10-12-35)13-22(27(34)37)21-14-20(38-2)15-23(39-3)25(21)29/h4-8,13-16,35H,1,9-12H2,2-3H3,(H,32,36)(H,30,31,33)
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n/an/a 1n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287067
PNG
(8-(2-((1-acryloylazetidin-3-yl)(methyl)amino)ethyl...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(C)C3CN(C3)C(=O)C=C)c2n1
Show InChI InChI=1S/C25H28Cl2N6O4/c1-6-19(34)32-12-15(13-32)31(3)7-8-33-23-14(11-29-25(28-2)30-23)9-16(24(33)35)20-21(26)17(36-4)10-18(37-5)22(20)27/h6,9-11,15H,1,7-8,12-13H2,2-5H3,(H,28,29,30)
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n/an/a 1n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238809
PNG
(CHEMBL4084708)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCCN3CCN(CC3)C(C)=O)nc2n(CCc2ccc(NC(=O)C=C)cc2)c1=O
Show InChI InChI=1S/C34H38ClN7O5/c1-5-30(44)38-25-8-6-23(7-9-25)10-12-42-32-24(18-28(33(42)45)27-19-26(46-3)20-29(47-4)31(27)35)21-37-34(39-32)36-11-13-40-14-16-41(17-15-40)22(2)43/h5-9,18-21H,1,10-17H2,2-4H3,(H,38,44)(H,36,37,39)
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n/an/a 1.10n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated for 15 mins followed by peptide substrate addition measured after 3 h...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM286984
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1
Show InChI InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)
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n/an/a 1.10n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287008
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCOC3CN(C3)C(=O)C=C)c2n1
Show InChI InChI=1S/C24H25Cl2N5O5/c1-5-18(32)30-11-14(12-30)36-7-6-31-22-13(10-28-24(27-2)29-22)8-15(23(31)33)19-20(25)16(34-3)9-17(35-4)21(19)26/h5,8-10,14H,1,6-7,11-12H2,2-4H3,(H,27,28,29)
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n/an/a 1.20n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238804
PNG
(CHEMBL4099578)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccc(NC(=O)C=C)cc3)c2n1
Show InChI InChI=1S/C27H26ClN5O4/c1-5-23(34)31-18-8-6-16(7-9-18)10-11-33-25-17(15-30-27(29-2)32-25)12-21(26(33)35)20-13-19(36-3)14-22(37-4)24(20)28/h5-9,12-15H,1,10-11H2,2-4H3,(H,31,34)(H,29,30,32)
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n/an/a 1.30n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287067
PNG
(8-(2-((1-acryloylazetidin-3-yl)(methyl)amino)ethyl...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(C)C3CN(C3)C(=O)C=C)c2n1
Show InChI InChI=1S/C25H28Cl2N6O4/c1-6-19(34)32-12-15(13-32)31(3)7-8-33-23-14(11-29-25(28-2)30-23)9-16(24(33)35)20-21(26)17(36-4)10-18(37-5)22(20)27/h6,9-11,15H,1,7-8,12-13H2,2-5H3,(H,28,29,30)
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n/an/a 1.30n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM286984
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1
Show InChI InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)
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n/an/a 1.30n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR2 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238806
PNG
(CHEMBL4083151)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccc(NC(=O)C=C)cn3)c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-5-22(34)31-17-7-6-16(29-14-17)8-9-33-24-15(13-30-26(28-2)32-24)10-20(25(33)35)19-11-18(36-3)12-21(37-4)23(19)27/h5-7,10-14H,1,8-9H2,2-4H3,(H,31,34)(H,28,30,32)
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n/an/a 1.30n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated for 15 mins followed by peptide substrate addition measured after 3 h...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238805
PNG
(CHEMBL4061286)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccc(NC(=O)C=C)nc3)c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-5-22(34)31-21-7-6-15(13-29-21)8-9-33-24-16(14-30-26(28-2)32-24)10-19(25(33)35)18-11-17(36-3)12-20(37-4)23(18)27/h5-7,10-14H,1,8-9H2,2-4H3,(H,28,30,32)(H,29,31,34)
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n/an/a 1.30n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238818
PNG
(CHEMBL4064081)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCCN3CCOCC3)nc2n(CCc2ccc(NC(=O)C=C)cc2)c1=O
Show InChI InChI=1S/C32H35ClN6O5/c1-4-28(40)36-23-7-5-21(6-8-23)9-11-39-30-22(20-35-32(37-30)34-10-12-38-13-15-44-16-14-38)17-26(31(39)41)25-18-24(42-2)19-27(43-3)29(25)33/h4-8,17-20H,1,9-16H2,2-3H3,(H,36,40)(H,34,35,37)
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n/an/a 1.40n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated for 15 mins followed by peptide substrate addition measured after 3 h...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238824
PNG
(CHEMBL4064756)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCCCN3CCOCC3)nc2n(CCc2ccc(NC(=O)C=C)cc2)c1=O
Show InChI InChI=1S/C33H37ClN6O5/c1-4-29(41)37-24-8-6-22(7-9-24)10-13-40-31-23(21-36-33(38-31)35-11-5-12-39-14-16-45-17-15-39)18-27(32(40)42)26-19-25(43-2)20-28(44-3)30(26)34/h4,6-9,18-21H,1,5,10-17H2,2-3H3,(H,37,41)(H,35,36,38)
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n/an/a 1.5n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated for 15 mins followed by peptide substrate addition measured after 3 h...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287559
PNG
(8-(2-((1-acryloylpiperidin-4-yl)(methyl)amino)ethy...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(C)C3CCN(CC3)C(=O)C=C)c2n1
Show InChI InChI=1S/C27H32Cl2N6O4/c1-6-21(36)34-9-7-17(8-10-34)33(3)11-12-35-25-16(15-31-27(30-2)32-25)13-18(26(35)37)22-23(28)19(38-4)14-20(39-5)24(22)29/h6,13-15,17H,1,7-12H2,2-5H3,(H,30,31,32)
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n/an/a 1.5n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238805
PNG
(CHEMBL4061286)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccc(NC(=O)C=C)nc3)c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-5-22(34)31-21-7-6-15(13-29-21)8-9-33-24-16(14-30-26(28-2)32-24)10-19(25(33)35)18-11-17(36-3)12-20(37-4)23(18)27/h5-7,10-14H,1,8-9H2,2-4H3,(H,28,30,32)(H,29,31,34)
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n/an/a 1.60n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238803
PNG
(CHEMBL4066763)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3cccc(NC(=O)C=C)n3)c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-5-22(34)31-21-8-6-7-16(30-21)9-10-33-24-15(14-29-26(28-2)32-24)11-19(25(33)35)18-12-17(36-3)13-20(37-4)23(18)27/h5-8,11-14H,1,9-10H2,2-4H3,(H,28,29,32)(H,30,31,34)
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n/an/a 1.60n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238803
PNG
(CHEMBL4066763)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3cccc(NC(=O)C=C)n3)c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-5-22(34)31-21-8-6-7-16(30-21)9-10-33-24-15(14-29-26(28-2)32-24)11-19(25(33)35)18-12-17(36-3)13-20(37-4)23(18)27/h5-8,11-14H,1,9-10H2,2-4H3,(H,28,29,32)(H,30,31,34)
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n/an/a 1.70n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM286523
PNG
(8-(2-((1-acryloylpyrrolidin-3-yl)oxy)ethyl)-6-(2,6...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCOC3CCN(C3)C(=O)C=C)c2n1
Show InChI InChI=1S/C25H27Cl2N5O5/c1-5-19(33)31-7-6-15(13-31)37-9-8-32-23-14(12-29-25(28-2)30-23)10-16(24(32)34)20-21(26)17(35-3)11-18(36-4)22(20)27/h5,10-12,15H,1,6-9,13H2,2-4H3,(H,28,29,30)
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n/an/a 1.80n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238821
PNG
(CHEMBL4088057)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccnc(NC(=O)C=C)c3)c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-5-22(34)31-21-10-15(6-8-29-21)7-9-33-24-16(14-30-26(28-2)32-24)11-19(25(33)35)18-12-17(36-3)13-20(37-4)23(18)27/h5-6,8,10-14H,1,7,9H2,2-4H3,(H,28,30,32)(H,29,31,34)
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n/an/a 1.90n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated for 15 mins followed by peptide substrate addition measured after 3 h...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238816
PNG
(CHEMBL4084079)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3cnc(NC(=O)C=C)cn3)c2n1
Show InChI InChI=1S/C25H24ClN7O4/c1-5-21(34)31-20-13-28-15(12-29-20)6-7-33-23-14(11-30-25(27-2)32-23)8-18(24(33)35)17-9-16(36-3)10-19(37-4)22(17)26/h5,8-13H,1,6-7H2,2-4H3,(H,27,30,32)(H,29,31,34)
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n/an/a 2.10n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238821
PNG
(CHEMBL4088057)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccnc(NC(=O)C=C)c3)c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-5-22(34)31-21-10-15(6-8-29-21)7-9-33-24-16(14-30-26(28-2)32-24)11-19(25(33)35)18-12-17(36-3)13-20(37-4)23(18)27/h5-6,8,10-14H,1,7,9H2,2-4H3,(H,28,30,32)(H,29,31,34)
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n/an/a 2.20n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM286388
PNG
(8-(2-(4-acryloylpiperazin-1-yl)ethyl)-6-(2,6-dichl...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN3CCN(CC3)C(=O)C=C)c2n1
Show InChI InChI=1S/C25H28Cl2N6O4/c1-5-19(34)32-9-6-31(7-10-32)8-11-33-23-15(14-29-25(28-2)30-23)12-16(24(33)35)20-21(26)17(36-3)13-18(37-4)22(20)27/h5,12-14H,1,6-11H2,2-4H3,(H,28,29,30)
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n/an/a 2.30n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated for 15 mins followed by peptide substrate addition measured after 3 h...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238810
PNG
(CHEMBL4092456)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCCO)nc2n(CCc2ccc(NC(=O)C=C)cc2)c1=O
Show InChI InChI=1S/C28H28ClN5O5/c1-4-24(36)32-19-7-5-17(6-8-19)9-11-34-26-18(16-31-28(33-26)30-10-12-35)13-22(27(34)37)21-14-20(38-2)15-23(39-3)25(21)29/h4-8,13-16,35H,1,9-12H2,2-3H3,(H,32,36)(H,30,31,33)
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n/an/a 2.40n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238802
PNG
(CHEMBL4095783)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3cccc(NC(=O)C=C)c3)c2n1
Show InChI InChI=1S/C27H26ClN5O4/c1-5-23(34)31-18-8-6-7-16(11-18)9-10-33-25-17(15-30-27(29-2)32-25)12-21(26(33)35)20-13-19(36-3)14-22(37-4)24(20)28/h5-8,11-15H,1,9-10H2,2-4H3,(H,31,34)(H,29,30,32)
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n/an/a 2.80n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50318447
PNG
(CHEMBL1096764 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)
Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCCC3)c3ccccc3)C[C@@H]2C1
Show InChI InChI=1S/C31H41N3O2/c1-22-10-9-11-23(2)29(22)31(36)34-20-26-18-33(19-27(26)21-34)17-16-28(24-12-5-3-6-13-24)32-30(35)25-14-7-4-8-15-25/h3,5-6,9-13,25-28H,4,7-8,14-21H2,1-2H3,(H,32,35)/t26-,27+,28-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay


Bioorg Med Chem Lett 20: 3116-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238804
PNG
(CHEMBL4099578)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccc(NC(=O)C=C)cc3)c2n1
Show InChI InChI=1S/C27H26ClN5O4/c1-5-23(34)31-18-8-6-16(7-9-18)10-11-33-25-17(15-30-27(29-2)32-25)12-21(26(33)35)20-13-19(36-3)14-22(37-4)24(20)28/h5-9,12-15H,1,10-11H2,2-4H3,(H,31,34)(H,29,30,32)
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n/an/a 3.40n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238812
PNG
(CHEMBL4100201)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCC(O)CO)nc2n(CCc2ccc(NC(=O)C=C)cc2)c1=O
Show InChI InChI=1S/C29H30ClN5O6/c1-4-25(38)33-19-7-5-17(6-8-19)9-10-35-27-18(14-31-29(34-27)32-15-20(37)16-36)11-23(28(35)39)22-12-21(40-2)13-24(41-3)26(22)30/h4-8,11-14,20,36-37H,1,9-10,15-16H2,2-3H3,(H,33,38)(H,31,32,34)
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n/an/a 3.90n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50318446
PNG
(CHEMBL1096765 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)
Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1
Show InChI InChI=1S/C31H39F2N3O2/c1-21-7-6-8-22(2)28(21)30(38)36-19-25-17-35(18-26(25)20-36)16-13-27(23-9-4-3-5-10-23)34-29(37)24-11-14-31(32,33)15-12-24/h3-10,24-27H,11-20H2,1-2H3,(H,34,37)/t25-,26+,27-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay


Bioorg Med Chem Lett 20: 3116-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM286984
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1
Show InChI InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)
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n/an/a 4.10n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR3 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287559
PNG
(8-(2-((1-acryloylpiperidin-4-yl)(methyl)amino)ethy...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCN(C)C3CCN(CC3)C(=O)C=C)c2n1
Show InChI InChI=1S/C27H32Cl2N6O4/c1-6-21(36)34-9-7-17(8-10-34)33(3)11-12-35-25-16(15-31-27(30-2)32-25)13-18(26(35)37)22-23(28)19(38-4)14-20(39-5)24(22)29/h6,13-15,17H,1,7-12H2,2-5H3,(H,30,31,32)
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n/an/a 4.10n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238820
PNG
(CHEMBL4072676)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccc(cc3)N(C)C(=O)C=C)c2n1
Show InChI InChI=1S/C28H28ClN5O4/c1-6-24(35)33(3)19-9-7-17(8-10-19)11-12-34-26-18(16-31-28(30-2)32-26)13-22(27(34)36)21-14-20(37-4)15-23(38-5)25(21)29/h6-10,13-16H,1,11-12H2,2-5H3,(H,30,31,32)
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n/an/a 4.70n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238807
PNG
(CHEMBL4102058)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NC3CCN(C)CC3)nc2n(CCc2ccc(NC(=O)C=C)cc2)c1=O
Show InChI InChI=1S/C32H35ClN6O4/c1-5-28(40)35-22-8-6-20(7-9-22)10-15-39-30-21(19-34-32(37-30)36-23-11-13-38(2)14-12-23)16-26(31(39)41)25-17-24(42-3)18-27(43-4)29(25)33/h5-9,16-19,23H,1,10-15H2,2-4H3,(H,35,40)(H,34,36,37)
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n/an/a 4.70n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238814
PNG
(CHEMBL4085605)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(Cc3cccc(NC(=O)C=C)c3)c2n1
Show InChI InChI=1S/C26H24ClN5O4/c1-5-22(33)30-17-8-6-7-15(9-17)14-32-24-16(13-29-26(28-2)31-24)10-20(25(32)34)19-11-18(35-3)12-21(36-4)23(19)27/h5-13H,1,14H2,2-4H3,(H,30,33)(H,28,29,31)
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n/an/a 5.30n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM286381
PNG
(8-(2-((1-acryloylpiperidin-3-yl)oxy)ethyl)-6-(2,6-...)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCOC3CCCN(C3)C(=O)C=C)c2n1
Show InChI InChI=1S/C26H29Cl2N5O5/c1-5-20(34)32-8-6-7-16(14-32)38-10-9-33-24-15(13-30-26(29-2)31-24)11-17(25(33)35)21-22(27)18(36-3)12-19(37-4)23(21)28/h5,11-13,16H,1,6-10,14H2,2-4H3,(H,29,30,31)
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n/an/a 5.60n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50318439
PNG
(CHEMBL1097815 | N-((S)-3-((3aR,6aS)-5-(4-fluoro-2,...)
Show SMILES Cc1cc(F)cc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1
Show InChI InChI=1S/C30H38FN3O2/c1-20-14-26(31)15-21(2)28(20)30(36)34-18-24-16-33(17-25(24)19-34)13-12-27(22-8-4-3-5-9-22)32-29(35)23-10-6-7-11-23/h3-5,8-9,14-15,23-25,27H,6-7,10-13,16-19H2,1-2H3,(H,32,35)/t24-,25+,27-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay


Bioorg Med Chem Lett 20: 3116-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2
More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238802
PNG
(CHEMBL4095783)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3cccc(NC(=O)C=C)c3)c2n1
Show InChI InChI=1S/C27H26ClN5O4/c1-5-23(34)31-18-8-6-7-16(11-18)9-10-33-25-17(15-30-27(29-2)32-25)12-21(26(33)35)20-13-19(36-3)14-22(37-4)24(20)28/h5-8,11-15H,1,9-10H2,2-4H3,(H,31,34)(H,29,30,32)
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n/an/a 6n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 m...


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50115528
PNG
((Z)-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-met...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27+
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n/an/a 6n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay


Bioorg Med Chem Lett 20: 3116-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50318451
PNG
(CHEMBL1096445 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)
Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1
Show InChI InChI=1S/C30H39N3O2/c1-21-9-8-10-22(2)28(21)30(35)33-19-25-17-32(18-26(25)20-33)16-15-27(23-11-4-3-5-12-23)31-29(34)24-13-6-7-14-24/h3-5,8-12,24-27H,6-7,13-20H2,1-2H3,(H,31,34)/t25-,26+,27-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay


Bioorg Med Chem Lett 20: 3116-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50318436
PNG
(CHEMBL1097169 | N-((S)-3-((3aR,6aS)-5-(2,4-dimethy...)
Show SMILES Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1
Show InChI InChI=1S/C29H38N4O2/c1-20-12-14-30-21(2)27(20)29(35)33-18-24-16-32(17-25(24)19-33)15-13-26(22-8-4-3-5-9-22)31-28(34)23-10-6-7-11-23/h3-5,8-9,12,14,23-26H,6-7,10-11,13,15-19H2,1-2H3,(H,31,34)/t24-,25+,26-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay


Bioorg Med Chem Lett 20: 3116-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50318448
PNG
(CHEMBL1096768 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)
Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]2C1
Show InChI InChI=1S/C29H37N3O2/c1-20-8-6-9-21(2)27(20)29(34)32-18-24-16-31(17-25(24)19-32)15-14-26(22-10-4-3-5-11-22)30-28(33)23-12-7-13-23/h3-6,8-11,23-26H,7,12-19H2,1-2H3,(H,30,33)/t24-,25+,26-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay


Bioorg Med Chem Lett 20: 3116-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2
More data for this
Ligand-Target Pair
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