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BDBM240982 US9409892, 77

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

InChI Key: InChIKey=WETDOHTXPFQGTC-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 = 240982   
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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM240982
PNG
(US9409892, 77)
Show SMILES CC(C)(CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(O)=O
Show InChI InChI=1S/C22H19N3O5/c1-22(2,21(28)29)12-24-20(27)18-19(26)15-9-8-14(10-16(15)17(11-23)25-18)30-13-6-4-3-5-7-13/h3-10,26H,12H2,1-2H3,(H,24,27)(H,28,29)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.12E+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
Egl nine homolog 2


(Homo sapiens (Human))
BDBM240982
PNG
(US9409892, 77)
Show SMILES CC(C)(CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(O)=O
Show InChI InChI=1S/C22H19N3O5/c1-22(2,21(28)29)12-24-20(27)18-19(26)15-9-8-14(10-16(15)17(11-23)25-18)30-13-6-4-3-5-7-13/h3-10,26H,12H2,1-2H3,(H,24,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 410n/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