Affinity Data by PDB ID

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
  - Host Guest Systems
  - Prot-Lig Validation Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

PDB code 4WXX

Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (1250/1250 = 100%)^† (Homo sapiens (Human))	BDBM50009672 (AdoHcy \| CHEMBL418052 \| S-(5'-adenosyl)-L-homocyst...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
MethylGene Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (1250/1250 = 100%)^† (Homo sapiens (Human))	BDBM50009672 (AdoHcy \| CHEMBL418052 \| S-(5'-adenosyl)-L-homocyst...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His6-tagged human DNMT1 after 1 hr by fluorescence analysis				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
Imperial College London Curated by ChEMBL					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (1250/1250 = 100%)^† (Homo sapiens (Human))	BDBM50009672 (AdoHcy \| CHEMBL418052 \| S-(5'-adenosyl)-L-homocyst...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	941	n/a	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Inhibition of human Dnmt1 using oligonucleotide 2 as substrate after 5000 sec by micro plate reader based real-time break-light assay				Bioorg Med Chem Lett 22: 3079-82 (2012) Article DOI: 10.1016/j.bmcl.2012.03.072 BindingDB Entry DOI: 10.7270/Q25Q4X4W
University of Southampton Curated by ChEMBL					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (1250/1250 = 100%)^† (Homo sapiens (Human))	BDBM50009672 (AdoHcy \| CHEMBL418052 \| S-(5'-adenosyl)-L-homocyst...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
MethylGene Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (1250/1250 = 100%)^† (Homo sapiens (Human))	BDBM50009672 (AdoHcy \| CHEMBL418052 \| S-(5'-adenosyl)-L-homocyst...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1 expressed in Sf9 cells assessed as incorporation of [3H]S-adenosyl methionine into hemimethylated oligonucleoti...				J Med Chem 54: 7663-77 (2011) Article DOI: 10.1021/jm2010404 BindingDB Entry DOI: 10.7270/Q28S4Q98
Universit£ degli Studi di Salerno Curated by ChEMBL					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (1250/1250 = 100%)^† (Homo sapiens (Human))	BDBM50009672 (AdoHcy \| CHEMBL418052 \| S-(5'-adenosyl)-L-homocyst...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Deutsches Krebsforschungszentrum Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1 expressed in baculovirus-insect cell system by scintillation counting				Bioorg Med Chem 18: 822-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.050 BindingDB Entry DOI: 10.7270/Q2CF9Q69
Deutsches Krebsforschungszentrum Curated by ChEMBL					More data for this Ligand-Target Pair

Reorder this table by ec50
Reorder this table by ic50
Reorder this table by Kd
Reorder this table by pH
Reorder this table by T
Reorder this table by ΔH°
Reorder this table by -TΔS°
Change energy units to: kcal/mole

Search BindingMOAD for More Affinity Data:

_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output