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SMILES: Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc(O)c2)n1

InChI Key: InChIKey=JYNCERXNUWYBKO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 8074   

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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM8074 (2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8e ...) Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc(O)c2)n1 Show InChI InChI=1S/C17H15N5O/c1-10-15(9-18)20-11(2)16(10)14-6-7-19-17(22-14)21-12-4-3-5-13(23)8-12/h3-8,20,23H,1-2H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-10.4	n/a	n/a	n/a	n/a	n/a	7.4	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				Bioorg Med Chem Lett 14: 4237-40 (2004) Article DOI: 10.1016/j.bmcl.2004.06.012 BindingDB Entry DOI: 10.7270/Q2CJ8BPP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM8074 (2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8e ...) Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc(O)c2)n1 Show InChI InChI=1S/C17H15N5O/c1-10-15(9-18)20-11(2)16(10)14-6-7-19-17(22-14)21-12-4-3-5-13(23)8-12/h3-8,20,23H,1-2H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	180	-9.35	n/a	n/a	n/a	n/a	n/a	n/a	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				Bioorg Med Chem Lett 14: 4237-40 (2004) Article DOI: 10.1016/j.bmcl.2004.06.012 BindingDB Entry DOI: 10.7270/Q2CJ8BPP
					More data for this Ligand-Target Pair