Affinity Data by PDB ID

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PDB code 2E1W

Identical Ligands in BindingDB

Found 2 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
Adenosine deaminase (324/356 = 91%)^† (Homo sapiens (human))	BDBM22948 (1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)pro...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	11	-45.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				J Med Chem 47: 2728-31 (2004) Article DOI: 10.1021/jm0499559 BindingDB Entry DOI: 10.7270/Q22F7KQT
Fujisawa Pharmaceutical Co., Ltd.					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (324/356 = 91%)^† (Homo sapiens (human))	BDBM22948 (1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)pro...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine deaminase				J Med Chem 48: 4750-3 (2005) Article DOI: 10.1021/jm050413g BindingDB Entry DOI: 10.7270/Q2JD4WBG
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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