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BDBM26107 (2R)-2-(formamidoformic acid)-3-phenylpropanoic acid::N-(carboxycarbonyl)-D-phenylalanine::N-Oxalyl-D-phenylalanine, 1b

SMILES: OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O

InChI Key: InChIKey=ULQWGBCNOHBNDB-MRVPVSSYSA-N

Data: 1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 26107   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM26107
PNG
((2R)-2-(formamidoformic acid)-3-phenylpropanoic ac...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O
Show InChI InChI=1S/C11H11NO5/c13-9(11(16)17)12-8(10(14)15)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1
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Article
PubMed
n/an/an/a 8.30E+4n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of FIH (unknown origin)


J Med Chem 62: 5725-5749 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01596
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM26107
PNG
((2R)-2-(formamidoformic acid)-3-phenylpropanoic ac...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O
Show InChI InChI=1S/C11H11NO5/c13-9(11(16)17)12-8(10(14)15)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1
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KEGG

UniProtKB/SwissProt

antibodypedia
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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 3.20E+5n/an/an/an/a7.537



University of Oxford



Assay Description
A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...


J Med Chem 51: 7053-6 (2008)


Article DOI: 10.1021/jm800936s
BindingDB Entry DOI: 10.7270/Q2959FV4
More data for this
Ligand-Target Pair