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BDBM51798 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline::3-(4-fluorophenyl)-7,8-dimethoxy-5-p-anisyl-pyrazolo[4,3-c]quinoline::MLS000530112::SMR000127110::cid_2136935

InChI string: InChI=1S/C26H22FN3O3/c1-31-19-10-4-16(5-11-19)14-30-15-21-25(17-6-8-18(27)9-7-17)28-29-26(21)20-12-23(32-2)24(33-3)13-22(20)30/h4-13,15H,14H2,1-3H3

SMILES: COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1

InChI Key: InChIKey=VPTOLNYVANDUEP-UHFFFAOYSA-N

Data: 2 IC50  4 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 = 51798   
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)
BDBM51798
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphen...)
Show SMILES COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H22FN3O3/c1-31-19-10-4-16(5-11-19)14-30-15-21-25(17-6-8-18(27)9-7-17)28-29-26(21)20-12-23(32-2)24(33-3)13-22(20)30/h4-13,15H,14H2,1-3H3
MMDB

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n/an/an/an/a 3.00E+4n/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)
BDBM51798
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphen...)
Show SMILES COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H22FN3O3/c1-31-19-10-4-16(5-11-19)14-30-15-21-25(17-6-8-18(27)9-7-17)28-29-26(21)20-12-23(32-2)24(33-3)13-22(20)30/h4-13,15H,14H2,1-3H3
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n/an/an/an/a 1.15E+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
SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 2, isoform CRA_a


(Homo sapiens)
BDBM51798
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphen...)
Show SMILES COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H22FN3O3/c1-31-19-10-4-16(5-11-19)14-30-15-21-25(17-6-8-18(27)9-7-17)28-29-26(21)20-12-23(32-2)24(33-3)13-22(20)30/h4-13,15H,14H2,1-3H3
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n/an/an/an/a 9.12E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51798
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphen...)
Show SMILES COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H22FN3O3/c1-31-19-10-4-16(5-11-19)14-30-15-21-25(17-6-8-18(27)9-7-17)28-29-26(21)20-12-23(32-2)24(33-3)13-22(20)30/h4-13,15H,14H2,1-3H3
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n/an/a 5.58E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM51798
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphen...)
Show SMILES COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H22FN3O3/c1-31-19-10-4-16(5-11-19)14-30-15-21-25(17-6-8-18(27)9-7-17)28-29-26(21)20-12-23(32-2)24(33-3)13-22(20)30/h4-13,15H,14H2,1-3H3
UniProtKB/SwissProt

antibodypedia
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n/an/a 8.15E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)

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


(Homo sapiens)
BDBM51798
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphen...)
Show SMILES COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H22FN3O3/c1-31-19-10-4-16(5-11-19)14-30-15-21-25(17-6-8-18(27)9-7-17)28-29-26(21)20-12-23(32-2)24(33-3)13-22(20)30/h4-13,15H,14H2,1-3H3
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n/an/an/an/a 5.72E+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