BDBM8057 2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 28::4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(3-nitrophenyl)pyrimidin-2-amine::[4-(2,4-Dimethylthiazol-5-yl)-pyrimidin-2-yl]methyl-(3-nitrophenyl)amine

SMILES: CN(c1cccc(c1)N(=O)=O)c1nccc(n1)-c1sc(C)nc1C

InChI Key: InChIKey=ADMUFKDXOCHFHI-UHFFFAOYSA-N

Data: 2 KI

PDB links: 5 PDB IDs contain inhibitors having a similarity of 90% to 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 = 8057   

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 4 (CDK4) (Homo sapiens (Human))	BDBM8057 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 28 | 4...) Show SMILES CN(c1cccc(c1)N(=O)=O)c1nccc(n1)-c1sc(C)nc1C Show InChI InChI=1S/C16H15N5O2S/c1-10-15(24-11(2)18-10)14-7-8-17-16(19-14)20(3)12-5-4-6-13(9-12)21(22)23/h4-9H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	>-6.51	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...				J Med Chem 47: 1662-75 (2004) Article DOI: 10.1021/jm0309957 BindingDB Entry DOI: 10.7270/Q2H993DD
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM8057 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 28 | 4...) Show SMILES CN(c1cccc(c1)N(=O)=O)c1nccc(n1)-c1sc(C)nc1C Show InChI InChI=1S/C16H15N5O2S/c1-10-15(24-11(2)18-10)14-7-8-17-16(19-14)20(3)12-5-4-6-13(9-12)21(22)23/h4-9H,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	>-6.51	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...				J Med Chem 47: 1662-75 (2004) Article DOI: 10.1021/jm0309957 BindingDB Entry DOI: 10.7270/Q2H993DD
					More data for this Ligand-Target Pair