BDBM8037 2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8::4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-ylamine::4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine::4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine, 1::CS12

SMILES: Cc1nc(C)c(s1)-c1ccnc(N)n1

InChI Key: InChIKey=CTFDMGIBHFQWKB-UHFFFAOYSA-N

Data: 4 KI  3 IC50  2 Kd  1 K_off  1 K_on

PDB links: 3 PDB IDs match this monomer. 6 PDB IDs contain this monomer as substructures. 6 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 = 8037   

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 (Homo sapiens (Human))	BDBM8037 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1 Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	396	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Cancer Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469
					More data for this Ligand-Target Pair				3D Structure (crystal)
CDK2/CycE (Homo sapiens (Human))	BDBM8037 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1 Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged CDK2/cyclin E expressed in baculovirus infected sf9 cells using histone H1 susbtrate in presence of [gamm...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair				3D Structure (crystal)
CDK2/CycE (Homo sapiens (Human))	BDBM8037 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1 Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.50E+3	-7.19	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				3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM8037 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1 Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+4	-6.65	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 (Homo sapiens (Human))	BDBM8037 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1 Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB D3R	n/a	n/a	n/a	n/a	n/a	1.42	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 (crystal)
CDK2/CycE (Homo sapiens (Human))	BDBM8037 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1 Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tours Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Eur J Med Chem 108: 701-19 (2016) BindingDB Entry DOI: 10.7270/Q22J6DQD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8037 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1 Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB D3R	n/a	n/a	n/a	n/a	n/a	n/a	8.22E+4	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 (crystal)
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM8037 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1 Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	n/a	3.03E+4	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 (crystal)
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM8037 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1 Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd					Assay Description In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.				Chem Biol 13: 201-11 (2006) Article DOI: 10.1016/j.chembiol.2005.11.011 BindingDB Entry DOI: 10.7270/Q2542M16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8037 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1 Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd					Assay Description In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.				Chem Biol 13: 201-11 (2006) Article DOI: 10.1016/j.chembiol.2005.11.011 BindingDB Entry DOI: 10.7270/Q2542M16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8037 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1 Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB D3R	n/a	n/a	n/a	3.03E+4	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 (crystal)