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BDBM76009 3-(3,4-dimethoxyphenyl)-N-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide::3-(3,4-dimethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide::3-(3,4-dimethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide::3-(3,4-dimethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide::MLS000936274::SMR000620955::cid_22334119

SMILES: COc1ccc(cc1OC)-n1nc(C(=O)NCC(=O)NCc2ccc(F)cc2)c2ccccc2c1=O

InChI Key: InChIKey=WACUTKOPSFMERP-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 = 76009   
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
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM76009
PNG
(3-(3,4-dimethoxyphenyl)-N-[2-[(4-fluorobenzyl)amin...)
Show SMILES COc1ccc(cc1OC)-n1nc(C(=O)NCC(=O)NCc2ccc(F)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C26H23FN4O5/c1-35-21-12-11-18(13-22(21)36-2)31-26(34)20-6-4-3-5-19(20)24(30-31)25(33)29-15-23(32)28-14-16-7-9-17(27)10-8-16/h3-13H,14-15H2,1-2H3,(H,28,32)(H,29,33)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.46E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BK19S0
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM76009
PNG
(3-(3,4-dimethoxyphenyl)-N-[2-[(4-fluorobenzyl)amin...)
Show SMILES COc1ccc(cc1OC)-n1nc(C(=O)NCC(=O)NCc2ccc(F)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C26H23FN4O5/c1-35-21-12-11-18(13-22(21)36-2)31-26(34)20-6-4-3-5-19(20)24(30-31)25(33)29-15-23(32)28-14-16-7-9-17(27)10-8-16/h3-13H,14-15H2,1-2H3,(H,28,32)(H,29,33)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 941n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26T0K34
More data for this
Ligand-Target Pair