BindingDB PrimarySearch

BDBM1 dT::thymidine

SMILES: CN(C)N\N=C1\N=CN=C1C(N)=O

InChI Key: InChIKey=OMJKFYKNWZZKTK-UXBLZVDNSA-N

Data: 15 KI 7 IC50 4 ITC

PDB links: 50 PDB IDs match this monomer. 153 PDB IDs contain this monomer as substructures. 153 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 1
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Binding affinity constant against HSV-1 thymidine kinase				J Med Chem 46: 5045-54 (2003) Article DOI: 10.1021/jm030241s BindingDB Entry DOI: 10.7270/Q2BR8SXZ
National Cancer Institute at Frederick Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Genetica Biochimica ed Evoluzionistica Curated by ChEMBL					Assay Description Inhibition of HSV-1 thymidine kinase				J Med Chem 35: 4214-20 (1992) BindingDB Entry DOI: 10.7270/Q2J67HJP
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP K_i Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
ADORA3 (RAT)	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP K_i Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP K_i Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.54E+4	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University					Assay Description Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...				J Enzyme Inhib Med Chem 25: 871-5 (2010) Article DOI: 10.3109/14756360903489581 BindingDB Entry DOI: 10.7270/Q24M93D3
Ataturk University					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis				Bioorg Med Chem Lett 13: 3045-8 (2003) BindingDB Entry DOI: 10.7270/Q237798X
Ghent University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK				Bioorg Med Chem 16: 6075-85 (2008) Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0
CNRS Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)				J Med Chem 46: 3811-21 (2003) Article DOI: 10.1021/jm021108n BindingDB Entry DOI: 10.7270/Q2MS3TGG
Ghent University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay				J Med Chem 47: 6187-94 (2004) Article DOI: 10.1021/jm040847w BindingDB Entry DOI: 10.7270/Q24M95B1
Ghent University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate kinase (Homo sapiens (Human))	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of human TMPK by coupled spectrophotometric assay				J Med Chem 47: 6187-94 (2004) Article DOI: 10.1021/jm040847w BindingDB Entry DOI: 10.7270/Q24M95B1
Ghent University Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human TMPK				Bioorg Med Chem 16: 6075-85 (2008) Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0
CNRS Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidine kinase (Staphylococcus aureus)	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.57E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus CCM 885 recombinant thymidine kinase				Antimicrob Agents Chemother 51: 2726-32 (2007) Article DOI: 10.1128/AAC.00081-07 BindingDB Entry DOI: 10.7270/Q2CF9PVD
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	7.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis				Bioorg Med Chem Lett 13: 3045-8 (2003) BindingDB Entry DOI: 10.7270/Q237798X
Ghent University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibitory activity (50 uM) against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with gancicclovir				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration against HSV-1 TK (WT) catalyzed [3H]-GCV phosphorylation				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibitory activity (50 uM) against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with BVAraU				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Binding affinity towards HSV-1 thymidine kinase				J Med Chem 39: 4727-37 (1997) Article DOI: 10.1021/jm960278v BindingDB Entry DOI: 10.7270/Q2M61KXS
Katholieke Universiteit Leuven Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidine kinase (Macacine herpesvirus 1)	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation				Antimicrob Agents Chemother 51: 2028-34 (2007) Article DOI: 10.1128/AAC.01284-06 BindingDB Entry DOI: 10.7270/Q2RN38R9
GLSynthesis Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM1 (dT \| thymidine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O \|c:6,8\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration against HSV-1 TK (A167Y) catalyzed [3H]-GCV phosphorylation				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 1
Cell (A)	Syringe (B)	Cell Links	Syringe Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Thymidine Kinase (Human herpesvirus 1)	BDBM1 (dT \| thymidine)	DrugBank GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB	-7.22	12.0	-19.1	5.28	7.5	25
Swiss Federal Institute of Technology	BDBM1 (dT \| thymidine)	DrugBank GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB	J Biol Chem 275: 16139-45 (2000)
Thymidine Kinase (Human herpesvirus 1)	BDBM1 (dT \| thymidine)	DrugBank GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB	-7.12	10.2	-17.5	n/a	7.5	20
Swiss Federal Institute of Technology	BDBM1 (dT \| thymidine)	DrugBank GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB	J Biol Chem 275: 16139-45 (2000)
Thymidine Kinase (Human herpesvirus 1)	BDBM1 (dT \| thymidine)	DrugBank GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB	-7.02	8.81	-15.8	n/a	7.5	15
Swiss Federal Institute of Technology	BDBM1 (dT \| thymidine)	DrugBank GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB	J Biol Chem 275: 16139-45 (2000)
Thymidine Kinase (Human herpesvirus 1)	BDBM1 (dT \| thymidine)	DrugBank GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB	-7.12	6.49	-13.6	n/a	7.5	10
Swiss Federal Institute of Technology	BDBM1 (dT \| thymidine)	DrugBank GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB	J Biol Chem 275: 16139-45 (2000)