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BDBM50366943 TRYPAN BLUE

SMILES: Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1

InChI Key: InChIKey=ZBNARPCCDMHDDV-UHFFFAOYSA-J

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50366943   
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
Protein-tyrosine phosphatase 1


(Saccharomyces cerevisiae)
BDBM50366943
PNG
(TRYPAN BLUE)
Show SMILES Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1
Show InChI InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50366943
PNG
(TRYPAN BLUE)
Show SMILES Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1
Show InChI InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4
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PubMed
n/an/a 1.71E+5n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonistic activity against P2Y purinoceptor 2 (P2Y2)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50366943
PNG
(TRYPAN BLUE)
Show SMILES Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1
Show InChI InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4
PDB
MMDB

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PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of human PTPase 1B


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair