BDBM8043 (4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amine::2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 14::CS13::N-(4-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine

SMILES: Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1

InChI Key: InChIKey=LZVYYWCYKXAVES-UHFFFAOYSA-N

Data: 2 KI  5 Kd  2 K_off  2 K_on

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 11 hits for monomerid = 8043   

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))	BDBM8043 ((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+3	-7.77	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))	BDBM8043 ((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)	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
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM8043 ((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)	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	PubMed	n/a	n/a	n/a	151	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8043 ((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	D3R	n/a	n/a	n/a	n/a	n/a	0.0394	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 220: (2015) BindingDB Entry DOI: 10.7270/Q21J98M7
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8043 ((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	D3R	n/a	n/a	n/a	n/a	n/a	n/a	2.09E+5	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 219: (2015) BindingDB Entry DOI: 10.7270/Q25B01BH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8043 ((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	D3R	n/a	n/a	n/a	n/a	n/a	0.0200	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 219: (2015) BindingDB Entry DOI: 10.7270/Q25B01BH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8043 ((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	D3R	n/a	n/a	n/a	965	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method1				D3R 220: (2015) BindingDB Entry DOI: 10.7270/Q21J98M7
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8043 ((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	D3R	n/a	n/a	n/a	n/a	n/a	n/a	6.95E+4	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 220: (2015) BindingDB Entry DOI: 10.7270/Q21J98M7
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8043 ((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.19E+4	n/a	n/a	n/a	7.5	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8043 ((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	965	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8043 ((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	D3R	n/a	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method2				D3R 219: (2015) BindingDB Entry DOI: 10.7270/Q25B01BH
					More data for this Ligand-Target Pair				3D Structure (docked)