BDBM8052 2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 23::3-({4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl}amino)phenol::3-[4-(2-Ethylamino-4-methylthiazol-5-yl)pyrimidin-2-ylamino]phenol

SMILES: CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1

InChI Key: InChIKey=HGMVCCYVQGIANG-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID contains 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 = 8052   

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))	BDBM8052 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 23 | 3...) Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1 Show InChI InChI=1S/C16H17N5OS/c1-3-17-16-19-10(2)14(23-16)13-7-8-18-15(21-13)20-11-5-4-6-12(22)9-11/h4-9,22H,3H2,1-2H3,(H,17,19)(H,18,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-6.93	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...				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))	BDBM8052 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 23 | 3...) Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1 Show InChI InChI=1S/C16H17N5OS/c1-3-17-16-19-10(2)14(23-16)13-7-8-18-15(21-13)20-11-5-4-6-12(22)9-11/h4-9,22H,3H2,1-2H3,(H,17,19)(H,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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