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BDBM114667 5-keto-1H-benzo[cd]indole-2-carboxylic acid ethyl ester::5-oxo-1H-benzo[cd]indole-2-carboxylic acid ethyl ester::MLS003170860::SMR001874777::cid_5384472::ethyl 5-oxidanylidene-1H-benzo[cd]indole-2-carboxylate::ethyl 5-oxo-1H-benzo[cd]indole-2-carboxylate

SMILES: CCOC(=O)c1[nH]c2cccc3C(=O)C=Cc1c23

InChI Key: InChIKey=XMJNOUYXODFBDJ-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 = 114667   
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
Fibrinogen beta chain [164-491]


(Homo sapiens (Human))
BDBM114667
PNG
(5-keto-1H-benzo[cd]indole-2-carboxylic acid ethyl ...)
Show SMILES CCOC(=O)c1[nH]c2cccc3C(=O)C=Cc1c23 |c:14|
Show InChI InChI=1S/C14H11NO3/c1-2-18-14(17)13-9-6-7-11(16)8-4-3-5-10(15-13)12(8)9/h3-7,15H,2H2,1H3
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2R49PFB
More data for this
Ligand-Target Pair
Fibrinogen beta chain [164-491]


(Homo sapiens (Human))
BDBM114667
PNG
(5-keto-1H-benzo[cd]indole-2-carboxylic acid ethyl ...)
Show SMILES CCOC(=O)c1[nH]c2cccc3C(=O)C=Cc1c23 |c:14|
Show InChI InChI=1S/C14H11NO3/c1-2-18-14(17)13-9-6-7-11(16)8-4-3-5-10(15-13)12(8)9/h3-7,15H,2H2,1H3
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.23E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F59
More data for this
Ligand-Target Pair