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Compile Data Set for Download or QSAR

Found 441 hits with Last Name = 'shen' and Initial = 'g'   
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
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186746
PNG
((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1
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370n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186746
PNG
((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1
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430n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of ferrous substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
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720n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of ferrous substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
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720n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Escherichia coli (strain K12))
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Escherichia coli LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi (strain ATCC BAA-1116 / BB120))
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
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9.70E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Vibrio harveyi LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186746
PNG
((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1
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1.06E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of zinc substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Escherichia coli (strain K12))
BDBM50186746
PNG
((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1
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1.27E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Escherichia coli LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi (strain ATCC BAA-1116 / BB120))
BDBM50186746
PNG
((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1
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1.28E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Vibrio harveyi LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
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1.96E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of zinc substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50142500
PNG
((2S)-2-amino-4-(methylsulfanyl)butanoic acid | (S)...)
Show SMILES CSCC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
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6.10E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186742
PNG
((2S)-2-amino-6-(N-formyl-N-hydroxylamino)hexanoic ...)
Show SMILES N[C@@H](CCCCN(O)C=O)C(O)=O
Show InChI InChI=1S/C7H14N2O4/c8-6(7(11)12)3-1-2-4-9(13)5-10/h5-6,13H,1-4,8H2,(H,11,12)/t6-/m0/s1
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6.80E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186743
PNG
(CHEMBL383729 | S-ribosylcysteine)
Show SMILES N[C@H](CSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C8H15NO6S/c9-3(7(12)13)1-16-2-4-5(10)6(11)8(14)15-4/h3-6,8,10-11,14H,1-2,9H2,(H,12,13)/t3-,4-,5-,6-,8-/m1/s1
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7.00E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186748
PNG
((S)-2-amino-6-(2-mercaptoacetamido)hexanoic acid |...)
Show SMILES N[C@@H](CCCCNC(=O)CS)C(O)=O
Show InChI InChI=1S/C8H16N2O3S/c9-6(8(12)13)3-1-2-4-10-7(11)5-14/h6,14H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
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1.32E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50148771
PNG
((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...)
Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO
Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
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1.47E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of ferrous substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186744
PNG
((S)-2-amino-6-(3-mercaptopropanamido)hexanoic acid...)
Show SMILES N[C@@H](CCCCNC(=O)CCS)C(O)=O
Show InChI InChI=1S/C9H18N2O3S/c10-7(9(13)14)3-1-2-5-11-8(12)4-6-15/h7,15H,1-6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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1.55E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50148771
PNG
((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...)
Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO
Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
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1.56E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186745
PNG
((S)-2-amino-6-(4-mercaptobutanamido)hexanoic acid ...)
Show SMILES N[C@@H](CCCCNC(=O)CCCS)C(O)=O
Show InChI InChI=1S/C10H20N2O3S/c11-8(10(14)15)4-1-2-6-12-9(13)5-3-7-16/h8,16H,1-7,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
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4.73E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi (strain ATCC BAA-1116 / BB120))
BDBM50148771
PNG
((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...)
Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO
Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
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5.50E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Vibrio harveyi LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Escherichia coli (strain K12))
BDBM50148771
PNG
((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...)
Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO
Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
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7.20E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Escherichia coli LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50148771
PNG
((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...)
Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO
Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
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2.40E+6n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of zinc substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)


Article DOI: 10.1021/jm060047g
BindingDB Entry DOI: 10.7270/Q25X28JQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50331029
PNG
((R,Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-yliden...)
Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCN(C[C@H](O)CN3CCOCC3)C(=O)c12 |r|
Show InChI InChI=1S/C24H27FN4O4/c1-14-21(11-18-17-10-15(25)2-3-19(17)27-23(18)31)26-20-4-5-29(24(32)22(14)20)13-16(30)12-28-6-8-33-9-7-28/h2-3,10-11,16,26,30H,4-9,12-13H2,1H3,(H,27,31)/b18-11-/t16-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50331031
PNG
((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...)
Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCCN(CCN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C24H27FN4O3/c1-15-21(14-18-17-13-16(25)4-5-19(17)27-23(18)30)26-20-3-2-6-29(24(31)22(15)20)8-7-28-9-11-32-12-10-28/h4-5,13-14,26H,2-3,6-12H2,1H3,(H,27,30)/b18-14-
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n/an/a 1n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50331026
PNG
((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...)
Show SMILES CN(C)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O
Show InChI InChI=1S/C21H23FN4O2/c1-12-18(11-15-14-10-13(22)4-5-16(14)24-20(15)27)23-17-6-7-26(9-8-25(2)3)21(28)19(12)17/h4-5,10-11,23H,6-9H2,1-3H3,(H,24,27)/b15-11-
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Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Kit after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50331028
PNG
((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...)
Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCN(CCN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C23H25FN4O3/c1-14-20(13-17-16-12-15(24)2-3-18(16)26-22(17)29)25-19-4-5-28(23(30)21(14)19)7-6-27-8-10-31-11-9-27/h2-3,12-13,25H,4-11H2,1H3,(H,26,29)/b17-13-
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n/an/a 1n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Kit after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50331029
PNG
((R,Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-yliden...)
Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCN(C[C@H](O)CN3CCOCC3)C(=O)c12 |r|
Show InChI InChI=1S/C24H27FN4O4/c1-14-21(11-18-17-10-15(25)2-3-19(17)27-23(18)31)26-20-4-5-29(24(32)22(14)20)13-16(30)12-28-6-8-33-9-7-28/h2-3,10-11,16,26,30H,4-9,12-13H2,1H3,(H,27,31)/b18-11-/t16-/m1/s1
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Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Kit after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035810
PNG
(CHEMBL3359927)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/s2
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28028
PNG
(2-aminopyridine analogue, 7 | N-{4-[(2-amino-3-eth...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1C#C
Show InChI InChI=1S/C25H16F2N4O3/c1-2-18-21(11-12-29-23(18)28)34-22-10-7-16(14-20(22)27)30-24(32)19-4-3-13-31(25(19)33)17-8-5-15(26)6-9-17/h1,3-14H,(H2,28,29)(H,30,32)
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n/an/a 1n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28030
PNG
(2-aminopyridine analogue, 9 | N-{4-[(2-amino-3-chl...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
Show InChI InChI=1S/C23H15ClF2N4O3/c24-20-19(9-10-28-21(20)27)33-18-8-5-14(12-17(18)26)29-22(31)16-2-1-11-30(23(16)32)15-6-3-13(25)4-7-15/h1-12H,(H2,27,28)(H,29,31)
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n/an/a 1n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM109275
PNG
(US8609622, 2)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F |r|
Show InChI InChI=1S/C21H21ClF2O7/c1-29-14-5-2-10(15(23)16(14)24)6-11-7-12(3-4-13(11)22)21-19(28)17(26)18(27)20(8-25,31-21)9-30-21/h2-5,7,17-19,25-28H,6,8-9H2,1H3/t17-,18-,19+,20+,21+/m0/s1
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n/an/a 1.42n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
Inhibitory activity of the compounds using SGLT1 and SGLT2.


US Patent US8609622 (2013)


BindingDB Entry DOI: 10.7270/Q2BC3X6H
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM109278
PNG
(US8609622, 5)
Show SMILES OC[C@]12COC(O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc3OCCc3c2)c1 |r|
Show InChI InChI=1S/C22H23ClO7/c23-16-3-2-15(9-14(16)8-12-1-4-17-13(7-12)5-6-28-17)22-20(27)18(25)19(26)21(10-24,30-22)11-29-22/h1-4,7,9,18-20,24-27H,5-6,8,10-11H2/t18-,19-,20+,21+,22?/m0/s1
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n/an/a 1.49n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
Inhibitory activity of the compounds using SGLT1 and SGLT2.


US Patent US8609622 (2013)


BindingDB Entry DOI: 10.7270/Q2BC3X6H
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24440
PNG
(2-pyridone analogue, 2 | JMC521251 Compound 1 | N-...)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
Show InChI InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)
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n/an/a 1.80n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50331026
PNG
((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...)
Show SMILES CN(C)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O
Show InChI InChI=1S/C21H23FN4O2/c1-12-18(11-15-14-10-13(22)4-5-16(14)24-20(15)27)23-17-6-7-26(9-8-25(2)3)21(28)19(12)17/h4-5,10-11,23H,6-9H2,1-3H3,(H,24,27)/b15-11-
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n/an/a 2n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50331024
PNG
((Z)-2-(5-Chloro-2-oxo-1,2-dihydro-indol-3-ylidenem...)
Show SMILES CCN(CC)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(Cl)cc34)c(C)c2C1=O
Show InChI InChI=1S/C23H27ClN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-
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n/an/a 2n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRbeta after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50331023
PNG
((Z)-2-(5-Fluoro-2-oxo-1,2-dihydroindol-3-ylideneme...)
Show SMILES CCN(CC)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O
Show InChI InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-
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Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Kit after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50331023
PNG
((Z)-2-(5-Fluoro-2-oxo-1,2-dihydroindol-3-ylideneme...)
Show SMILES CCN(CC)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O
Show InChI InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-
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Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2-induced cell proliferation in HUVEC after 72 hrs by sulforhodamine B method


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035810
PNG
(CHEMBL3359927)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/s2
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28033
PNG
(2-aminopyridine analogue, 12 | N-{4-[(2-amino-3-ch...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3c(OCCO)ccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
Show InChI InChI=1S/C25H19ClF2N4O5/c26-22-20(7-9-30-23(22)29)37-18-6-3-15(13-17(18)28)31-24(34)21-19(36-12-11-33)8-10-32(25(21)35)16-4-1-14(27)2-5-16/h1-10,13,33H,11-12H2,(H2,29,30)(H,31,34)
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n/an/a 2.60n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28026
PNG
(2-aminopyridine analogue, 5 | N-(4-{[2-amino-3-(3-...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1C#CCO
Show InChI InChI=1S/C26H18F2N4O4/c27-16-5-8-18(9-6-16)32-13-1-3-20(26(32)35)25(34)31-17-7-10-23(21(28)15-17)36-22-11-12-30-24(29)19(22)4-2-14-33/h1,3,5-13,15,33H,14H2,(H2,29,30)(H,31,34)
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n/an/a 2.70n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50331025
PNG
((Z)-2-(5-Bromo-2-oxo-1,2-dihydro-indol-3-ylideneme...)
Show SMILES CCN(CC)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(Br)cc34)c(C)c2C1=O
Show InChI InChI=1S/C23H27BrN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-
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n/an/a 3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRbeta after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50331026
PNG
((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...)
Show SMILES CN(C)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O
Show InChI InChI=1S/C21H23FN4O2/c1-12-18(11-15-14-10-13(22)4-5-16(14)24-20(15)27)23-17-6-7-26(9-8-25(2)3)21(28)19(12)17/h4-5,10-11,23H,6-9H2,1-3H3,(H,24,27)/b15-11-
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n/an/a 3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRbeta after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50331027
PNG
((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...)
Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCN(CCN3CCCC3)C(=O)c12
Show InChI InChI=1S/C23H25FN4O2/c1-14-20(13-17-16-12-15(24)4-5-18(16)26-22(17)29)25-19-6-9-28(23(30)21(14)19)11-10-27-7-2-3-8-27/h4-5,12-13,25H,2-3,6-11H2,1H3,(H,26,29)/b17-13-
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n/an/a 3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Kit after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)


Article DOI: 10.1021/jm101036c
BindingDB Entry DOI: 10.7270/Q2BV7GWF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035849
PNG
(CHEMBL3359915)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16-/s2
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28032
PNG
(2-aminopyridine analogue, 11 | N-{4-[(2-amino-3-ch...)
Show SMILES CC(C)Oc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C26H21ClF2N4O4/c1-14(2)36-20-10-12-33(17-6-3-15(28)4-7-17)26(35)22(20)25(34)32-16-5-8-19(18(29)13-16)37-21-9-11-31-24(30)23(21)27/h3-14H,1-2H3,(H2,30,31)(H,32,34)
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n/an/a 3.20n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM109277
PNG
(US8609622, 4)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)C23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1F |r|
Show InChI InChI=1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22?/m0/s1
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n/an/a 3.31n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
Inhibitory activity of the compounds using SGLT1 and SGLT2.


US Patent US8609622 (2013)


BindingDB Entry DOI: 10.7270/Q2BC3X6H
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28027
PNG
(2-aminopyridine analogue, 6 | N-(4-{[2-amino-3-(hy...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1CO
Show InChI InChI=1S/C24H18F2N4O4/c25-14-3-6-16(7-4-14)30-11-1-2-17(24(30)33)23(32)29-15-5-8-21(19(26)12-15)34-20-9-10-28-22(27)18(20)13-31/h1-12,31H,13H2,(H2,27,28)(H,29,32)
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n/an/a 3.40n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28029
PNG
(2-aminopyridine analogue, 8 | N-(4-{[2-amino-3-(pr...)
Show SMILES CC(C)c1c(N)nccc1Oc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc1F
Show InChI InChI=1S/C26H22F2N4O3/c1-15(2)23-22(11-12-30-24(23)29)35-21-10-7-17(14-20(21)28)31-25(33)19-4-3-13-32(26(19)34)18-8-5-16(27)6-9-18/h3-15H,1-2H3,(H2,29,30)(H,31,33)
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Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM109275
PNG
(US8609622, 2)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F |r|
Show InChI InChI=1S/C21H21ClF2O7/c1-29-14-5-2-10(15(23)16(14)24)6-11-7-12(3-4-13(11)22)21-19(28)17(26)18(27)20(8-25,31-21)9-30-21/h2-5,7,17-19,25-28H,6,8-9H2,1H3/t17-,18-,19+,20+,21+/m0/s1
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n/an/a 3.65n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
Inhibitory activity of the compounds using SGLT1 and SGLT2.


US Patent US8609622 (2013)


BindingDB Entry DOI: 10.7270/Q2BC3X6H
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28025
PNG
(2-aminopyridine analogue, 4 | N-(4-{[2-amino-3-(3-...)
Show SMILES NCC#Cc1c(N)nccc1Oc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc1F
Show InChI InChI=1S/C26H19F2N5O3/c27-16-5-8-18(9-6-16)33-14-2-4-20(26(33)35)25(34)32-17-7-10-23(21(28)15-17)36-22-11-13-31-24(30)19(22)3-1-12-29/h2,4-11,13-15H,12,29H2,(H2,30,31)(H,32,34)
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n/an/a 3.80n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a 3.90n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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