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BDBM240986 US9409892, 81

SMILES: OC(=O)CCCCNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O

InChI Key: InChIKey=RSKFOCLJBCRDEJ-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 = 240986   
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))
BDBM240986
PNG
(US9409892, 81)
Show SMILES OC(=O)CCCCNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O
Show InChI InChI=1S/C22H19N3O5/c23-13-18-17-12-15(30-14-6-2-1-3-7-14)9-10-16(17)21(28)20(25-18)22(29)24-11-5-4-8-19(26)27/h1-3,6-7,9-10,12,28H,4-5,8,11H2,(H,24,29)(H,26,27)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.95E+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))
BDBM240986
PNG
(US9409892, 81)
Show SMILES OC(=O)CCCCNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O
Show InChI InChI=1S/C22H19N3O5/c23-13-18-17-12-15(30-14-6-2-1-3-7-14)9-10-16(17)21(28)20(25-18)22(29)24-11-5-4-8-19(26)27/h1-3,6-7,9-10,12,28H,4-5,8,11H2,(H,24,29)(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 420n/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