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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.3
BDBM75700
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
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
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75700
PNG
(MLS002170417 | N-[3-[[(4-keto-3H-phthalazine-1-car...)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C18H15N5O4/c1-10(24)19-12-6-4-5-11(9-12)16(25)21-23-18(27)15-13-7-2-3-8-14(13)17(26)22-20-15/h2-9H,1H3,(H,19,24)(H,21,25)(H,22,26)(H,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.37E+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
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75700
PNG
(MLS002170417 | N-[3-[[(4-keto-3H-phthalazine-1-car...)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C18H15N5O4/c1-10(24)19-12-6-4-5-11(9-12)16(25)21-23-18(27)15-13-7-2-3-8-14(13)17(26)22-20-15/h2-9H,1H3,(H,19,24)(H,21,25)(H,22,26)(H,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.23E+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)
BDBM75700
PNG
(MLS002170417 | N-[3-[[(4-keto-3H-phthalazine-1-car...)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C18H15N5O4/c1-10(24)19-12-6-4-5-11(9-12)16(25)21-23-18(27)15-13-7-2-3-8-14(13)17(26)22-20-15/h2-9H,1H3,(H,19,24)(H,21,25)(H,22,26)(H,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM75700
PNG
(MLS002170417 | N-[3-[[(4-keto-3H-phthalazine-1-car...)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C18H15N5O4/c1-10(24)19-12-6-4-5-11(9-12)16(25)21-23-18(27)15-13-7-2-3-8-14(13)17(26)22-20-15/h2-9H,1H3,(H,19,24)(H,21,25)(H,22,26)(H,23,27)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.10E+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
Alpi


(Rattus norvegicus (Rat))
BDBM75700
PNG
(MLS002170417 | N-[3-[[(4-keto-3H-phthalazine-1-car...)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C18H15N5O4/c1-10(24)19-12-6-4-5-11(9-12)16(25)21-23-18(27)15-13-7-2-3-8-14(13)17(26)22-20-15/h2-9H,1H3,(H,19,24)(H,21,25)(H,22,26)(H,23,27)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair