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BDBM241059 US9409892, 154

SMILES: OC(=O)C1(CNC(=O)c2nc(C#N)c3cc(Sc4ccccc4)ccc3c2O)CCC1

InChI Key: InChIKey=WZEVEULDNFXEFI-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 = 241059   
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))
BDBM241059
PNG
(US9409892, 154)
Show SMILES OC(=O)C1(CNC(=O)c2nc(C#N)c3cc(Sc4ccccc4)ccc3c2O)CCC1
Show InChI InChI=1S/C23H19N3O4S/c24-12-18-17-11-15(31-14-5-2-1-3-6-14)7-8-16(17)20(27)19(26-18)21(28)25-13-23(22(29)30)9-4-10-23/h1-3,5-8,11,27H,4,9-10,13H2,(H,25,28)(H,29,30)
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 1.90E+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))
BDBM241059
PNG
(US9409892, 154)
Show SMILES OC(=O)C1(CNC(=O)c2nc(C#N)c3cc(Sc4ccccc4)ccc3c2O)CCC1
Show InChI InChI=1S/C23H19N3O4S/c24-12-18-17-11-15(31-14-5-2-1-3-6-14)7-8-16(17)20(27)19(26-18)21(28)25-13-23(22(29)30)9-4-10-23/h1-3,5-8,11,27H,4,9-10,13H2,(H,25,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/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