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BDBM43514 3,9-bis(4-methoxyphenyl)-7-methyl-4-oxo-8-pyrido[1,2]thieno[3,4-b]triazinecarboxylic acid ethyl ester::4-keto-3,9-bis(4-methoxyphenyl)-7-methyl-pyrido[1,2]thieno[3,4-b]triazine-8-carboxylic acid ethyl ester::MLS000545895::SMR000161403::cid_990687::ethyl 3,9-bis(4-methoxyphenyl)-7-methyl-4-oxidanylidene-pyrido[1,2]thieno[3,4-b][1,2,3]triazine-8-carboxylate::ethyl 3,9-bis(4-methoxyphenyl)-7-methyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazine-8-carboxylate::ethyl 3,9-bis(4-methoxyphenyl)-7-methyl-4-oxopyrido[1,2]thieno[3,4-b]triazine-8-carboxylate

SMILES: CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1

InChI Key: InChIKey=LNVREEXYXVGXSQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 43514   
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
STAT3


(Homo sapiens (Human))
BDBM43514
PNG
(3,9-bis(4-methoxyphenyl)-7-methyl-4-oxo-8-pyrido[1...)
Show SMILES CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H22N4O5S/c1-5-35-26(32)19-14(2)27-24-21(20(19)15-6-10-17(33-3)11-7-15)22-23(36-24)25(31)30(29-28-22)16-8-12-18(34-4)13-9-16/h6-13H,5H2,1-4H3
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.57E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM43514
PNG
(3,9-bis(4-methoxyphenyl)-7-methyl-4-oxo-8-pyrido[1...)
Show SMILES CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H22N4O5S/c1-5-35-26(32)19-14(2)27-24-21(20(19)15-6-10-17(33-3)11-7-15)22-23(36-24)25(31)30(29-28-22)16-8-12-18(34-4)13-9-16/h6-13H,5H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM43514
PNG
(3,9-bis(4-methoxyphenyl)-7-methyl-4-oxo-8-pyrido[1...)
Show SMILES CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H22N4O5S/c1-5-35-26(32)19-14(2)27-24-21(20(19)15-6-10-17(33-3)11-7-15)22-23(36-24)25(31)30(29-28-22)16-8-12-18(34-4)13-9-16/h6-13H,5H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.66E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair