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)	Ligand	Target/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	pH	Temp °C
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM34063 (DDUG | NSC 109555 | diacetyldiphenylurea bisguanyl...) Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1ccc(-[#7]-[#6](=O)-[#7]-c2ccc(cc2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])cc1 |w:2.2,23.24| 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 Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.2	23
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 Structure (crystal)
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM34063 (DDUG | NSC 109555 | diacetyldiphenylurea bisguanyl...) Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1ccc(-[#7]-[#6](=O)-[#7]-c2ccc(cc2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])cc1 |w:2.2,23.24| 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 Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	7.5	30
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 Structure (crystal)