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BDBM4898 3-(2,4-dimethyl-5-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid::3-substituted indolin-2-one 16d

SMILES: Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c(C)c1CCC(O)=O

InChI Key: InChIKey=NCORNUPANAVMRQ-ZSOIEALJSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 4898   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4898
PNG
(3-(2,4-dimethyl-5-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dih...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H19N3O5S/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(27(19,25)26)3-5-15(13)21-18(14)24/h3,5,7-8,20H,4,6H2,1-2H3,(H,21,24)(H,22,23)(H2,19,25,26)/b14-8-
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Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4898
PNG
(3-(2,4-dimethyl-5-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dih...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H19N3O5S/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(27(19,25)26)3-5-15(13)21-18(14)24/h3,5,7-8,20H,4,6H2,1-2H3,(H,21,24)(H,22,23)(H2,19,25,26)/b14-8-
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KEGG

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n/an/a 8.48E+4n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4898
PNG
(3-(2,4-dimethyl-5-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dih...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H19N3O5S/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(27(19,25)26)3-5-15(13)21-18(14)24/h3,5,7-8,20H,4,6H2,1-2H3,(H,21,24)(H,22,23)(H2,19,25,26)/b14-8-
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n/an/a 1.53E+3n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4898
PNG
(3-(2,4-dimethyl-5-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dih...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H19N3O5S/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(27(19,25)26)3-5-15(13)21-18(14)24/h3,5,7-8,20H,4,6H2,1-2H3,(H,21,24)(H,22,23)(H2,19,25,26)/b14-8-
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PC cid
PC sid
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n/an/a 280n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair