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BDBM56865 MLS000533909::N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-(2-propoxyanilino)methylidene]-2-(4-methoxyphenoxy)acetamide::N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(2-propoxyanilino)methylene]-2-(4-methoxyphenoxy)acetamide::N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(2-propoxyanilino)methylidene]-2-(4-methoxyphenoxy)acetamide::N-[[(4,6-dimethylpyrimidin-2-yl)amino]-[(2-propoxyphenyl)amino]methylidene]-2-(4-methoxyphenoxy)ethanamide::N-{[(4,6-dimethyl-2-pyrimidinyl)amino][(2-propoxyphenyl)amino]methylene}-2-(4-methoxyphenoxy)acetamide::SMR000141346::cid_1602827

SMILES: CCCOc1ccccc1N=C(NC(=O)COc1ccc(OC)cc1)Nc1nc(C)cc(C)n1

InChI Key: InChIKey=PYKVRHLPVZGMEB-UHFFFAOYSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 56865   
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
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM56865
PNG
(MLS000533909 | N-[[(4,6-dimethyl-2-pyrimidinyl)ami...)
Show SMILES CCCOc1ccccc1N=C(NC(=O)COc1ccc(OC)cc1)Nc1nc(C)cc(C)n1 |w:10.10|
Show InChI InChI=1S/C25H29N5O4/c1-5-14-33-22-9-7-6-8-21(22)28-25(30-24-26-17(2)15-18(3)27-24)29-23(31)16-34-20-12-10-19(32-4)11-13-20/h6-13,15H,5,14,16H2,1-4H3,(H2,26,27,28,29,30,31)
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 8.50E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BV7F1T
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM56865
PNG
(MLS000533909 | N-[[(4,6-dimethyl-2-pyrimidinyl)ami...)
Show SMILES CCCOc1ccccc1N=C(NC(=O)COc1ccc(OC)cc1)Nc1nc(C)cc(C)n1 |w:10.10|
Show InChI InChI=1S/C25H29N5O4/c1-5-14-33-22-9-7-6-8-21(22)28-25(30-24-26-17(2)15-18(3)27-24)29-23(31)16-34-20-12-10-19(32-4)11-13-20/h6-13,15H,5,14,16H2,1-4H3,(H2,26,27,28,29,30,31)
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n/an/a 6.39E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM56865
PNG
(MLS000533909 | N-[[(4,6-dimethyl-2-pyrimidinyl)ami...)
Show SMILES CCCOc1ccccc1N=C(NC(=O)COc1ccc(OC)cc1)Nc1nc(C)cc(C)n1 |w:10.10|
Show InChI InChI=1S/C25H29N5O4/c1-5-14-33-22-9-7-6-8-21(22)28-25(30-24-26-17(2)15-18(3)27-24)29-23(31)16-34-20-12-10-19(32-4)11-13-20/h6-13,15H,5,14,16H2,1-4H3,(H2,26,27,28,29,30,31)
PDB
MMDB

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PC cid
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UniChem

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PCBioAssay
n/an/a 7.70E+3n/an/an/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 (2012)


BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM56865
PNG
(MLS000533909 | N-[[(4,6-dimethyl-2-pyrimidinyl)ami...)
Show SMILES CCCOc1ccccc1N=C(NC(=O)COc1ccc(OC)cc1)Nc1nc(C)cc(C)n1 |w:10.10|
Show InChI InChI=1S/C25H29N5O4/c1-5-14-33-22-9-7-6-8-21(22)28-25(30-24-26-17(2)15-18(3)27-24)29-23(31)16-34-20-12-10-19(32-4)11-13-20/h6-13,15H,5,14,16H2,1-4H3,(H2,26,27,28,29,30,31)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 8.53E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair