Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 5593   

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
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5593 (2-arylamino-pyrimidine deriv. 9c | 6-(cyclohexylme...) Show SMILES CSc1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1 Show InChI InChI=1S/C18H23N5O2S/c1-26-14-9-7-13(8-10-14)20-18-21-16(19)15(23-24)17(22-18)25-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H3,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				Bioorg Med Chem Lett 13: 3079-82 (2003) Article DOI: 10.1016/s0960-894x(03)00651-6 BindingDB Entry DOI: 10.7270/Q2R78CDT
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5593 (2-arylamino-pyrimidine deriv. 9c | 6-(cyclohexylme...) Show SMILES CSc1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1 Show InChI InChI=1S/C18H23N5O2S/c1-26-14-9-7-13(8-10-14)20-18-21-16(19)15(23-24)17(22-18)25-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H3,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				Bioorg Med Chem Lett 13: 3079-82 (2003) Article DOI: 10.1016/s0960-894x(03)00651-6 BindingDB Entry DOI: 10.7270/Q2R78CDT
					More data for this Ligand-Target Pair