BDBM8058 2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 29::N,N,4-trimethyl-5-{2-[(3-nitrophenyl)amino]pyrimidin-4-yl}-1,3-thiazol-2-amine::[4-(2-N,N-Dimethylamino-4-methylthiazol-5-yl)pyrimidin-2-yl]-3-nitrophenyl)amine

SMILES: CN(C)c1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1

InChI Key: InChIKey=AHXBVGBTNPVUAS-UHFFFAOYSA-N

Data: 2 KI

PDB links: 3 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 = 8058   

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
CDK2/CycE (Homo sapiens (Human))	BDBM8058 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 29 | N...) Show SMILES CN(C)c1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1 Show InChI InChI=1S/C16H16N6O2S/c1-10-14(25-16(18-10)21(2)3)13-7-8-17-15(20-13)19-11-5-4-6-12(9-11)22(23)24/h4-9H,1-3H3,(H,17,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	60	-10.0	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
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM8058 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 29 | N...) Show SMILES CN(C)c1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1 Show InChI InChI=1S/C16H16N6O2S/c1-10-14(25-16(18-10)21(2)3)13-7-8-17-15(20-13)19-11-5-4-6-12(9-11)22(23)24/h4-9H,1-3H3,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.30E+3	-7.31	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