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BDBM51805 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(4-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine::3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimethoxy-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-imine::3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-imine::3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[(4-methylphenyl)methylthio]-4-quinazolinimine::MLS000546901::SMR000180099::[3-(3-chloro-4-methoxy-benzyl)-6,7-dimethoxy-2-[(4-methylbenzyl)thio]quinazolin-4-ylidene]amine::cid_1489267

InChI string: InChI=1S/C26H26ClN3O3S/c1-16-5-7-17(8-6-16)15-34-26-29-21-13-24(33-4)23(32-3)12-19(21)25(28)30(26)14-18-9-10-22(31-2)20(27)11-18/h5-13,28H,14-15H2,1-4H3

SMILES: COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl

InChI Key: InChIKey=NQYGTTYTHFNECU-UHFFFAOYSA-N

Data: 1 IC50  5 EC50

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 6 hits for monomerid = 51805   
Target
(Institution)
LigandTarget
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
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51805
PNG
(3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(4-m...)
Show SMILES COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
Show InChI InChI=1S/C26H26ClN3O3S/c1-16-5-7-17(8-6-16)15-34-26-29-21-13-24(33-4)23(32-3)12-19(21)25(28)30(26)14-18-9-10-22(31-2)20(27)11-18/h5-13,28H,14-15H2,1-4H3
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n/an/an/an/a 2.23E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51805
PNG
(3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(4-m...)
Show SMILES COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
Show InChI InChI=1S/C26H26ClN3O3S/c1-16-5-7-17(8-6-16)15-34-26-29-21-13-24(33-4)23(32-3)12-19(21)25(28)30(26)14-18-9-10-22(31-2)20(27)11-18/h5-13,28H,14-15H2,1-4H3
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n/an/an/an/a 1.97E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
BDBM51805
PNG
(3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(4-m...)
Show SMILES COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
Show InChI InChI=1S/C26H26ClN3O3S/c1-16-5-7-17(8-6-16)15-34-26-29-21-13-24(33-4)23(32-3)12-19(21)25(28)30(26)14-18-9-10-22(31-2)20(27)11-18/h5-13,28H,14-15H2,1-4H3
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n/an/an/an/a 5.35E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM51805
PNG
(3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(4-m...)
Show SMILES COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
Show InChI InChI=1S/C26H26ClN3O3S/c1-16-5-7-17(8-6-16)15-34-26-29-21-13-24(33-4)23(32-3)12-19(21)25(28)30(26)14-18-9-10-22(31-2)20(27)11-18/h5-13,28H,14-15H2,1-4H3
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n/an/an/an/a 5.93E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM51805
PNG
(3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(4-m...)
Show SMILES COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
Show InChI InChI=1S/C26H26ClN3O3S/c1-16-5-7-17(8-6-16)15-34-26-29-21-13-24(33-4)23(32-3)12-19(21)25(28)30(26)14-18-9-10-22(31-2)20(27)11-18/h5-13,28H,14-15H2,1-4H3
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n/an/an/an/a 4.05E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM51805
PNG
(3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(4-m...)
Show SMILES COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
Show InChI InChI=1S/C26H26ClN3O3S/c1-16-5-7-17(8-6-16)15-34-26-29-21-13-24(33-4)23(32-3)12-19(21)25(28)30(26)14-18-9-10-22(31-2)20(27)11-18/h5-13,28H,14-15H2,1-4H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair