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BDBM75625 MLS000582492::N-(3-methylbutyl)-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamide::N-(3-methylbutyl)-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanamide::N-(3-methylbutyl)-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide::N-(3-methylbutyl)-4-[2-(2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]-4-oxobutanamide::N-isoamyl-4-keto-4-[N'-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butyramide::SMR000206478::cid_12004910

SMILES: CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12

InChI Key: InChIKey=JTJQYXUPXWBATE-UHFFFAOYSA-N

Data: 1 IC50  4 EC50

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 5 hits for monomerid = 75625   
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))
BDBM75625
PNG
(MLS000582492 | N-(3-methylbutyl)-4-[(2-methyl-[1,2...)
Show SMILES CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C19H25N7O2/c1-12(2)10-11-20-16(27)8-9-17(28)23-24-19-22-15-7-5-4-6-14(15)18-21-13(3)25-26(18)19/h4-7,12H,8-11H2,1-3H3,(H,20,27)(H,22,24)(H,23,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.93E+3n/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/Q2ST7N9K
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75625
PNG
(MLS000582492 | N-(3-methylbutyl)-4-[(2-methyl-[1,2...)
Show SMILES CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C19H25N7O2/c1-12(2)10-11-20-16(27)8-9-17(28)23-24-19-22-15-7-5-4-6-14(15)18-21-13(3)25-26(18)19/h4-7,12H,8-11H2,1-3H3,(H,20,27)(H,22,24)(H,23,28)
PDB

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n/an/a 5.04E+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/Q25Q4TJ1
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75625
PNG
(MLS000582492 | N-(3-methylbutyl)-4-[(2-methyl-[1,2...)
Show SMILES CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C19H25N7O2/c1-12(2)10-11-20-16(27)8-9-17(28)23-24-19-22-15-7-5-4-6-14(15)18-21-13(3)25-26(18)19/h4-7,12H,8-11H2,1-3H3,(H,20,27)(H,22,24)(H,23,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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UniChem

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n/an/an/an/a 1.92E+4n/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/Q2CF9NKD
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75625
PNG
(MLS000582492 | N-(3-methylbutyl)-4-[(2-methyl-[1,2...)
Show SMILES CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C19H25N7O2/c1-12(2)10-11-20-16(27)8-9-17(28)23-24-19-22-15-7-5-4-6-14(15)18-21-13(3)25-26(18)19/h4-7,12H,8-11H2,1-3H3,(H,20,27)(H,22,24)(H,23,28)
PDB
MMDB

KEGG

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UniChem

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PCBioAssay
n/an/an/an/a 1.39E+4n/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/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM75625
PNG
(MLS000582492 | N-(3-methylbutyl)-4-[(2-methyl-[1,2...)
Show SMILES CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C19H25N7O2/c1-12(2)10-11-20-16(27)8-9-17(28)23-24-19-22-15-7-5-4-6-14(15)18-21-13(3)25-26(18)19/h4-7,12H,8-11H2,1-3H3,(H,20,27)(H,22,24)(H,23,28)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.25E+4n/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/Q24Q7SF3
More data for this
Ligand-Target Pair