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BDBM240922 US9409892, 17

SMILES: CCCC(CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(O)=O

InChI Key: InChIKey=OUBAPWWJWLDPAF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 240922   
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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM240922
PNG
(US9409892, 17)
Show SMILES CCCC(CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(O)=O
Show InChI InChI=1S/C23H21N3O5/c1-2-6-14(23(29)30)13-25-22(28)20-21(27)17-10-9-16(11-18(17)19(12-24)26-20)31-15-7-4-3-5-8-15/h3-5,7-11,14,27H,2,6,13H2,1H3,(H,25,28)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.79E+4n/an/an/an/a7.4n/a



FibroGen Inc

US Patent


Assay Description
Ketoglutaric acid α-[1-14C]-sodium salt, alpha-ketoglutaric acid sodium salt, and HPLC purified peptide may be obtained from commercial sources...


US Patent US9409892 (2016)


BindingDB Entry DOI: 10.7270/Q2MG7NFC
More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM240922
PNG
(US9409892, 17)
Show SMILES CCCC(CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(O)=O
Show InChI InChI=1S/C23H21N3O5/c1-2-6-14(23(29)30)13-25-22(28)20-21(27)17-10-9-16(11-18(17)19(12-24)26-20)31-15-7-4-3-5-8-15/h3-5,7-11,14,27H,2,6,13H2,1H3,(H,25,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.39E+3n/an/an/an/a7.4n/a



FibroGen Inc

US Patent


Assay Description
Ketoglutaric acid α-[1-14C]-sodium salt, alpha-ketoglutaric acid sodium salt, and HPLC purified peptide may be obtained from commercial sources...


US Patent US9409892 (2016)


BindingDB Entry DOI: 10.7270/Q2MG7NFC
More data for this
Ligand-Target Pair