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BDBM34063 DDUG::NSC 109555::diacetyldiphenylurea bisguanylhydrazone

SMILES: [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1ccc(-[#7]-[#6](=O)-[#7]-c2ccc(cc2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])cc1

InChI Key: InChIKey=HCAQGQIHBFVVIX-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 34063   
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
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM34063
PNG
(DDUG | NSC 109555 | diacetyldiphenylurea bisguanyl...)
Show SMILES CC(=NN=C(N)N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=NN=C(N)N)cc1
Show InChI InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)
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MMDB

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Similars

PDB
Article
PubMed
n/an/a 200n/an/an/an/a7.223



NIH



Assay Description
The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm...


Mol Pharmacol 72: 876-84 (2007)


Article DOI: 10.1124/mol.107.035832
BindingDB Entry DOI: 10.7270/Q2J67F9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM34063
PNG
(DDUG | NSC 109555 | diacetyldiphenylurea bisguanyl...)
Show SMILES CC(=NN=C(N)N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=NN=C(N)N)cc1
Show InChI InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)
PDB
MMDB

NCI pathway
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KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 240n/an/an/an/a7.530



NIH



Assay Description
NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con...


Mol Pharmacol 72: 876-84 (2007)


Article DOI: 10.1124/mol.107.035832
BindingDB Entry DOI: 10.7270/Q2J67F9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)