Reaction Details Report a problem with these data
Target
Intestinal-type alkaline phosphatase
Ligand
BDBM74350
Substrate
n/a
Meas. Tech.
Dose Response confirmation of uHTS hits from a small molecule inhibitors of human intestinal alkaline phosphatase via a luminescent assay
IC50
>100000±n/a nM
Citation
 PubChem, PC Dose Response confirmation of uHTS hits from a small molecule inhibitors of human intestinal alkaline phosphatase via a luminescent assay PubChem Bioassay (2010)[AID] 
Target
Name:
Intestinal-type alkaline phosphatase
Synonyms:
ALPI | Alkaline phosphatase, intestinal | Intestinal alkaline phosphatase | PPBI_HUMAN
Type:
PROTEIN
Mol. Mass.:
56804.94
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1278525
Residue:
528
Sequence:
MQGPWVLLLLGLRLQLSLGVIPAEEENPAFWNRQAAEALDAAKKLQPIQKVAKNLILFLGDGLGVPTVTATRILKGQKNGKLGPETPLAMDRFPYLALSKTYNVDRQVPDSAATATAYLCGVKANFQTIGLSAAARFNQCNTTRGNEVISVMNRAKQAGKSVGVVTTTRVQHASPAGTYAHTVNRNWYSDADMPASARQEGCQDIATQLISNMDIDVILGGGRKYMFPMGTPDPEYPADASQNGIRLDGKNLVQEWLAKHQGAWYVWNRTELMQASLDQSVTHLMGLFEPGDTKYEIHRDPTLDPSLMEMTEAALRLLSRNPRGFYLFVEGGRIDHGHHEGVAYQALTEAVMFDDAIERAGQLTSEEDTLTLVTADHSHVFSFGGYTLRGSSIFGLAPSKAQDSKAYTSILYGNGPGYVFNSGVRPDVNESESGSPDYQQQAAVPLSSETHGGEDVAVFARGPQAHLVHGVQEQSFVAHVMAFAACLEPYTACDLAPPACTTDAAHPVAASLPLLAGTLLLLGASAAP
  
Inhibitor
Name:
BDBM74350
Synonyms:
MLS001360432 | SMR001223890 | [6-amino-9-(2-carbomethoxyphenyl)xanthen-3-ylidene]ammonium;chloride;hydrate | [6-amino-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]ammonium;chloride;hydrate | [6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium;chloride;hydrate | [6-azanyl-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium;chloride;hydrate | cid_24207752
Type:
Small organic molecule
Emp. Form.:
C21H17N2O3
Mol. Mass.:
345.3707
SMILES:
COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12 |(12.56,9.29,;13.55,8.11,;13.02,6.67,;14.01,5.49,;11.5,6.4,;11.5,7.94,;10.17,8.71,;8.84,7.94,;8.84,6.4,;10.17,5.63,;10.17,4.09,;8.84,3.32,;7.46,4.14,;6.06,3.35,;6.06,1.75,;4.73,.97,;7.46,.95,;8.84,1.78,;10.17,1.01,;11.5,1.78,;12.88,.95,;14.28,1.75,;15.61,.97,;14.28,3.35,;12.88,4.14,;11.5,3.32,)|
Structure:
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