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BDBM76237 MLS002153605::MS-IR::SMR001230873::cid_24981563

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1

InChI Key: InChIKey=UINMUNMSVHZTGM-FGZCRSDWSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 76237   
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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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n/an/a 3.23E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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n/an/a 4.13E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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n/an/a 2.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair