Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cell division control protein 42 homolog' and Ligand = 'BDBM50308894'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM50308894 (3-[3-(3-Cyano-phenyl)-ureidomethyl]-N-(2-piperidin...) Show SMILES O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1cccc(c1)C#N Show InChI InChI=1S/C23H27N5O2/c24-14-18-4-2-8-21(13-18)28-23(30)27-16-19-5-1-7-20(12-19)22(29)26-11-9-17-6-3-10-25-15-17/h1-2,4-5,7-8,12-13,17,25H,3,6,9-11,15-16H2,(H,26,29)(H2,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Cdc42				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
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