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BDBM37880 3-(2-furanylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-one::3-(2-furfuryl)-8-methoxy-5H-pyrimid[5,4-b]indol-4-one::3-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-one::MLS000078427::SMR000039440::cid_658506

SMILES: COc1ccc2[nH]c3c(ncn(Cc4ccco4)c3=O)c2c1

InChI Key: InChIKey=KJVGEBMPIFPOHG-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 = 37880   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM37880
PNG
(3-(2-furanylmethyl)-8-methoxy-5H-pyrimido[5,4-b]in...)
Show SMILES COc1ccc2[nH]c3c(ncn(Cc4ccco4)c3=O)c2c1
Show InChI InChI=1S/C16H13N3O3/c1-21-10-4-5-13-12(7-10)14-15(18-13)16(20)19(9-17-14)8-11-3-2-6-22-11/h2-7,9,18H,8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 464n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM37880
PNG
(3-(2-furanylmethyl)-8-methoxy-5H-pyrimido[5,4-b]in...)
Show SMILES COc1ccc2[nH]c3c(ncn(Cc4ccco4)c3=O)c2c1
Show InChI InChI=1S/C16H13N3O3/c1-21-10-4-5-13-12(7-10)14-15(18-13)16(20)19(9-17-14)8-11-3-2-6-22-11/h2-7,9,18H,8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.79E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair