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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 398.3
BDBM50097125
Purchase
Wt: 365.3
BDBM50103242
Purchase
Wt: 396.3
BDBM50143018
Wt: 345.3
BDBM50143019
Wt: 426.4
BDBM50143025
Wt: 376.3
BDBM50143027
Wt: 320.2
BDBM50143013
Wt: 521.3
BDBM50143009
Wt: 440.4
BDBM50143012
Wt: 563.4
BDBM50374503
Wt: 514.4
BDBM50409924
Wt: 456.3
BDBM50421313
Wt: 510.4
BDBM50421314
Wt: 580.4
BDBM50422562
Purchase
Wt: 562.5
BDBM50422563
Displayed 1 to 15 (of 117 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 43 hits in this display   
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
Solute carrier organic anion transporter family member 1B1 (OATP1B1)


(Homo sapiens (Human))
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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PubMed
530n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation counting


J Med Chem 55: 4740-63 (2012)


Article DOI: 10.1021/jm300212s
BindingDB Entry DOI: 10.7270/Q2765GFC
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2B1


(Homo sapiens)
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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3.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...


J Med Chem 55: 4740-63 (2012)


Article DOI: 10.1021/jm300212s
BindingDB Entry DOI: 10.7270/Q2765GFC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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6.87E+3n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burk plot


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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8.72E+3n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burk plot


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3)


(Homo sapiens (Human))
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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1.10E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...


J Med Chem 55: 4740-63 (2012)


Article DOI: 10.1021/jm300212s
BindingDB Entry DOI: 10.7270/Q2765GFC
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50103242
PNG
(CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...)
Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
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>4.00E+6n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)


J Med Chem 44: 2869-78 (2001)


Article DOI: 10.1021/jm010020r
BindingDB Entry DOI: 10.7270/Q237781C
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1)


(Homo sapiens (Human))
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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n/an/a 560n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation counting


J Med Chem 55: 4740-63 (2012)


Article DOI: 10.1021/jm300212s
BindingDB Entry DOI: 10.7270/Q2765GFC
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2B1


(Homo sapiens)
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...


J Med Chem 55: 4740-63 (2012)


Article DOI: 10.1021/jm300212s
BindingDB Entry DOI: 10.7270/Q2765GFC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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n/an/a 3.04E+3n/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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n/an/a 4.49E+3n/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3)


(Homo sapiens (Human))
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...


J Med Chem 55: 4740-63 (2012)


Article DOI: 10.1021/jm300212s
BindingDB Entry DOI: 10.7270/Q2765GFC
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Bioorg Med Chem Lett 21: 6184-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.081
BindingDB Entry DOI: 10.7270/Q21V5FCR
More data for this
Ligand-Target Pair
Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD)


(Homo sapiens (Human))
BDBM50103242
PNG
(CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...)
Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
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n/an/a 6.40E+6n/an/an/an/an/a25



Texas Wesleyan University



Assay Description
For the 96-well plate validation assay, sodium orthovanadate (Sigma Aldrich) was utilized as a positive control for inhibition [Swarup et al., Bioche...


BMC Biochem 16: 19 (2015)


Article DOI: 10.1186/s12858-015-0048-3
BindingDB Entry DOI: 10.7270/Q26972FW
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143018
PNG
((2R,3S,4R)-4-(benzyloxy)-2-[(sulfonatooxy)methyl]t...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1OCC[C@@H](OCc2ccccc2)C1OS([O-])(=O)=O
Show InChI InChI=1S/C13H18O10S2/c14-24(15,16)22-9-12-13(23-25(17,18)19)11(6-7-20-12)21-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,14,15,16)(H,17,18,19)/p-2/t11-,12-,13?/m1/s1
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n/an/an/a 3.41E+6n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50421313
PNG
(CHEMBL2087911)
Show SMILES CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C7H13N3O14S3/c1-20-7-6(24-27(17,18)19)5(23-26(14,15)16)4(22-25(11,12)13)3(21-7)2-9-10-8/h3-7H,2H2,1H3,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3/t3-,4-,5+,6+,7+/m1/s1
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n/an/an/a 3.43E+5n/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity to FGF1 by surface plasmon resonance-based solution affinity assay


Bioorg Med Chem Lett 22: 6190-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.001
BindingDB Entry DOI: 10.7270/Q2QR4ZD6
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50421314
PNG
(CHEMBL2087912)
Show SMILES CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C7H14O18S4/c1-20-7-6(25-29(17,18)19)5(24-28(14,15)16)4(23-27(11,12)13)3(22-7)2-21-26(8,9)10/h3-7H,2H2,1H3,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-4/t3-,4-,5+,6+,7+/m1/s1
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n/an/an/a 1.30E+5n/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity to FGF1 by surface plasmon resonance-based solution affinity assay


Bioorg Med Chem Lett 22: 6190-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.001
BindingDB Entry DOI: 10.7270/Q2QR4ZD6
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50421313
PNG
(CHEMBL2087911)
Show SMILES CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C7H13N3O14S3/c1-20-7-6(24-27(17,18)19)5(23-26(14,15)16)4(22-25(11,12)13)3(21-7)2-9-10-8/h3-7H,2H2,1H3,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3/t3-,4-,5+,6+,7+/m1/s1
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n/an/an/a 2.10E+5n/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity to FGF2 by surface plasmon resonance-based solution affinity assay


Bioorg Med Chem Lett 22: 6190-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.001
BindingDB Entry DOI: 10.7270/Q2QR4ZD6
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50421314
PNG
(CHEMBL2087912)
Show SMILES CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C7H14O18S4/c1-20-7-6(25-29(17,18)19)5(24-28(14,15)16)4(23-27(11,12)13)3(22-7)2-21-26(8,9)10/h3-7H,2H2,1H3,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-4/t3-,4-,5+,6+,7+/m1/s1
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n/an/an/a 3.40E+5n/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity to FGF2 by surface plasmon resonance-based solution affinity assay


Bioorg Med Chem Lett 22: 6190-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.001
BindingDB Entry DOI: 10.7270/Q2QR4ZD6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM50421313
PNG
(CHEMBL2087911)
Show SMILES CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C7H13N3O14S3/c1-20-7-6(24-27(17,18)19)5(23-26(14,15)16)4(22-25(11,12)13)3(21-7)2-9-10-8/h3-7H,2H2,1H3,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3/t3-,4-,5+,6+,7+/m1/s1
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n/an/an/a 6.30E+5n/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity to VEGF by surface plasmon resonance-based solution affinity assay


Bioorg Med Chem Lett 22: 6190-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.001
BindingDB Entry DOI: 10.7270/Q2QR4ZD6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM50421314
PNG
(CHEMBL2087912)
Show SMILES CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C7H14O18S4/c1-20-7-6(25-29(17,18)19)5(24-28(14,15)16)4(23-27(11,12)13)3(22-7)2-21-26(8,9)10/h3-7H,2H2,1H3,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-4/t3-,4-,5+,6+,7+/m1/s1
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n/an/an/a 1.98E+5n/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity to VEGF by surface plasmon resonance-based solution affinity assay


Bioorg Med Chem Lett 22: 6190-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.001
BindingDB Entry DOI: 10.7270/Q2QR4ZD6
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50422562
PNG
(CHEMBL2303819)
Show SMILES OS(=O)(=O)OC[C@@H]1O[C@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O
Show InChI InChI=1S/C6H12O21S5/c7-28(8,9)22-1-2-3(24-29(10,11)12)4(25-30(13,14)15)5(26-31(16,17)18)6(23-2)27-32(19,20)21/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)/t2-,3+,4-,5+,6+/m0/s1
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n/an/an/a 3.75E+4n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50422563
PNG
(CHEMBL2303820)
Show SMILES CO[C@@H]1O[C@@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
Show InChI InChI=1S/C21H22O14S2/c1-30-21-18(34-20(23)14-10-6-3-7-11-14)17(33-19(22)13-8-4-2-5-9-13)16(35-37(27,28)29)15(32-21)12-31-36(24,25)26/h2-11,15-18,21H,12H2,1H3,(H,24,25,26)(H,27,28,29)/t15-,16+,17-,18-,21+/m0/s1
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n/an/an/a 9.21E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50422562
PNG
(CHEMBL2303819)
Show SMILES OS(=O)(=O)OC[C@@H]1O[C@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O
Show InChI InChI=1S/C6H12O21S5/c7-28(8,9)22-1-2-3(24-29(10,11)12)4(25-30(13,14)15)5(26-31(16,17)18)6(23-2)27-32(19,20)21/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)/t2-,3+,4-,5+,6+/m0/s1
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n/an/an/a 1.55E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 2


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50374503
PNG
(CHEMBL1627089)
Show SMILES CO[C@@H]1OC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C12H22O19S3/c1-25-11-10(31-34(22,23)24)8(29-32(16,17)18)5(3-26-11)28-12-9(30-33(19,20)21)7(15)6(14)4(2-13)27-12/h4-15H,2-3H2,1H3,(H,16,17,18)(H,19,20,21)(H,22,23,24)/p-3/t4-,5-,6+,7+,8+,9-,10-,11-,12-/m1/s1
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n/an/an/a 1.40E+6n/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Binding affinity at FGF1


Bioorg Med Chem Lett 18: 344-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.071
BindingDB Entry DOI: 10.7270/Q24B326Z
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50409924
PNG
(CHEMBL2029142)
Show SMILES CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O
Show InChI InChI=1S/C7H14O18S4/c1-20-7-6(25-29(17,18)19)5(24-28(14,15)16)4(23-27(11,12)13)3(22-7)2-21-26(8,9)10/h3-7H,2H2,1H3,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6+,7+/m1/s1
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n/an/an/a 1.27E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143025
PNG
(3-(benzyloxy)-6-methoxy-2-methyl-5-(sulfonatooxy)t...)
Show SMILES COC1OC(C)C(OCc2ccccc2)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O
Show InChI InChI=1S/C14H20O11S2/c1-9-11(22-8-10-6-4-3-5-7-10)12(24-26(15,16)17)13(14(21-2)23-9)25-27(18,19)20/h3-7,9,11-14H,8H2,1-2H3,(H,15,16,17)(H,18,19,20)/p-2
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n/an/an/a 2.49E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 2


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50409924
PNG
(CHEMBL2029142)
Show SMILES CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O
Show InChI InChI=1S/C7H14O18S4/c1-20-7-6(25-29(17,18)19)5(24-28(14,15)16)4(23-27(11,12)13)3(22-7)2-21-26(8,9)10/h3-7H,2H2,1H3,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6+,7+/m1/s1
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n/an/an/a 3.43E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 2


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143027
PNG
(3-(allyloxy)-6-methoxy-2-methyl-5-(sulfonatooxy)te...)
Show SMILES COC1OC(C)C(OCC=C)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O
Show InChI InChI=1S/C10H18O11S2/c1-4-5-18-7-6(2)19-10(17-3)9(21-23(14,15)16)8(7)20-22(11,12)13/h4,6-10H,1,5H2,2-3H3,(H,11,12,13)(H,14,15,16)/p-2
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n/an/an/a 1.34E+6n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50103242
PNG
(CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...)
Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
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n/an/an/a 2.23E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 2


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143019
PNG
(2-(benzyloxy)-3-methoxy-6,8-dioxabicyclo[3.2.1]oct...)
Show SMILES COC1C(OCc2ccccc2)C2COC(O2)C1OS([O-])(=O)=O
Show InChI InChI=1S/C14H18O8S/c1-18-12-11(19-7-9-5-3-2-4-6-9)10-8-20-14(21-10)13(12)22-23(15,16)17/h2-6,10-14H,7-8H2,1H3,(H,15,16,17)/p-1
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n/an/an/a 8.02E+6n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 2


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143013
PNG
((2R,3R,4R)-4-methoxy-2-[(sulfonatooxy)methyl]tetra...)
Show SMILES CO[C@@H]1CCO[C@H](COS([O-])(=O)=O)C1OS([O-])(=O)=O
Show InChI InChI=1S/C7H14O10S2/c1-14-5-2-3-15-6(4-16-18(8,9)10)7(5)17-19(11,12)13/h5-7H,2-4H2,1H3,(H,8,9,10)(H,11,12,13)/p-2/t5-,6-,7?/m1/s1
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n/an/an/a 5.94E+6n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143025
PNG
(3-(benzyloxy)-6-methoxy-2-methyl-5-(sulfonatooxy)t...)
Show SMILES COC1OC(C)C(OCc2ccccc2)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O
Show InChI InChI=1S/C14H20O11S2/c1-9-11(22-8-10-6-4-3-5-7-10)12(24-26(15,16)17)13(14(21-2)23-9)25-27(18,19)20/h3-7,9,11-14H,8H2,1-2H3,(H,15,16,17)(H,18,19,20)/p-2
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n/an/an/a 3.38E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50103242
PNG
(CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...)
Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
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n/an/an/a 4.74E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143019
PNG
(2-(benzyloxy)-3-methoxy-6,8-dioxabicyclo[3.2.1]oct...)
Show SMILES COC1C(OCc2ccccc2)C2COC(O2)C1OS([O-])(=O)=O
Show InChI InChI=1S/C14H18O8S/c1-18-12-11(19-7-9-5-3-2-4-6-9)10-8-20-14(21-10)13(12)22-23(15,16)17/h2-6,10-14H,7-8H2,1H3,(H,15,16,17)/p-1
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n/an/an/a 3.07E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143018
PNG
((2R,3S,4R)-4-(benzyloxy)-2-[(sulfonatooxy)methyl]t...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1OCC[C@@H](OCc2ccccc2)C1OS([O-])(=O)=O
Show InChI InChI=1S/C13H18O10S2/c14-24(15,16)22-9-12-13(23-25(17,18)19)11(6-7-20-12)21-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,14,15,16)(H,17,18,19)/p-2/t11-,12-,13?/m1/s1
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n/an/an/a 5.10E+6n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 2


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143013
PNG
((2R,3R,4R)-4-methoxy-2-[(sulfonatooxy)methyl]tetra...)
Show SMILES CO[C@@H]1CCO[C@H](COS([O-])(=O)=O)C1OS([O-])(=O)=O
Show InChI InChI=1S/C7H14O10S2/c1-14-5-2-3-15-6(4-16-18(8,9)10)7(5)17-19(11,12)13/h5-7H,2-4H2,1H3,(H,8,9,10)(H,11,12,13)/p-2/t5-,6-,7?/m1/s1
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n/an/an/a 1.74E+7n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 2


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143012
PNG
((2R,3S,4R)-4-(3-phenoxypropoxy)-2-[(sulfonatooxy)m...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1OCC[C@@H](OCCCOc2ccccc2)C1OS([O-])(=O)=O
Show InChI InChI=1S/C15H22O11S2/c16-27(17,18)25-11-14-15(26-28(19,20)21)13(7-10-24-14)23-9-4-8-22-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,16,17,18)(H,19,20,21)/p-2/t13-,14-,15?/m1/s1
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n/an/an/a 7.50E+6n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 2


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143009
PNG
(2-(azidomethyl)-3,5,6-tris(sulfonatooxy)tetrahydro...)
Show SMILES [O-]S(=O)(=O)OC1OC(CN=[N+]=[N-])C(OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O
Show InChI InChI=1S/C6H11N3O17S4/c7-9-8-1-2-3(23-27(10,11)12)4(24-28(13,14)15)5(25-29(16,17)18)6(22-2)26-30(19,20)21/h2-6H,1H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)/p-4
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n/an/an/a 3.40E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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n/an/an/a 6.09E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143009
PNG
(2-(azidomethyl)-3,5,6-tris(sulfonatooxy)tetrahydro...)
Show SMILES [O-]S(=O)(=O)OC1OC(CN=[N+]=[N-])C(OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O
Show InChI InChI=1S/C6H11N3O17S4/c7-9-8-1-2-3(23-27(10,11)12)4(24-28(13,14)15)5(25-29(16,17)18)6(22-2)26-30(19,20)21/h2-6H,1H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)/p-4
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n/an/an/a 2.58E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 2


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50143012
PNG
((2R,3S,4R)-4-(3-phenoxypropoxy)-2-[(sulfonatooxy)m...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1OCC[C@@H](OCCCOc2ccccc2)C1OS([O-])(=O)=O
Show InChI InChI=1S/C15H22O11S2/c16-27(17,18)25-11-14-15(26-28(19,20)21)13(7-10-24-14)23-9-4-8-22-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,16,17,18)(H,19,20,21)/p-2/t13-,14-,15?/m1/s1
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n/an/an/a 3.25E+6n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair