Affinity Data by PDB ID

PDB code 2Z7G

Identical Ligands in BindingDB

Found 11 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 (341/356 = 96%)^† (Bos taurus (bovine))	BDBM28393 ((+)-EHNA \| (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Tested for binding affinity against calf intestinal Adenosine Deaminase (ADA)				J Med Chem 37: 3844-9 (1994) BindingDB Entry DOI: 10.7270/Q2FT8K2W
University of Rhode Island Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (341/356 = 96%)^† (Bos taurus (bovine))	BDBM28393 ((+)-EHNA \| (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase in calf intestinal mucosa.				Bioorg Med Chem Lett 6: 2417-2420 (1996) Article DOI: 10.1016/0960-894X(96)00439-8 BindingDB Entry DOI: 10.7270/Q2PK0G3T
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (341/356 = 96%)^† (Bos taurus (bovine))	BDBM28393 ((+)-EHNA \| (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	1.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
University of Rhode Island Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (341/356 = 96%)^† (Bos taurus (bovine))	BDBM28393 ((+)-EHNA \| (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory constant against bovine spleen Adenosine deaminase				J Med Chem 48: 5162-74 (2005) Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH
Universit£ di Pisa Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (341/356 = 96%)^† (Bos taurus (bovine))	BDBM28393 ((+)-EHNA \| (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)				Bioorg Med Chem Lett 8: 1639-42 (1999) BindingDB Entry DOI: 10.7270/Q2M044JJ
University of Rhode Island Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (341/356 = 96%)^† (Bos taurus (bovine))	BDBM28393 ((+)-EHNA \| (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Binding affinity (Ki) at calf intestinal Adenosine deaminase				J Med Chem 35: 4180-4 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118
University of Rhode Island Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (324/356 = 91%)^† (Homo sapiens (Human))	BDBM28393 ((+)-EHNA \| (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (341/356 = 96%)^† (Bos taurus (bovine))	BDBM28393 ((+)-EHNA \| (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
Advinus Therapeutics Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (324/356 = 91%)^† (Homo sapiens (Human))	BDBM22926 (3-(6-amino-9H-purin-9-yl)nonan-2-ol \| EHNA \| Eryth...) Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	37	-42.0	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...				Bioorg Med Chem Lett 13: 1115-8 (2003) Article DOI: 10.1016/S0960-894X(03)00026-X BindingDB Entry DOI: 10.7270/Q29Z936D
Fujisawa Pharmaceutical Co., Ltd.					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (324/356 = 91%)^† (Homo sapiens (Human))	BDBM50404652 (CHEMBL2114367) Show SMILES CCCCCC[C@H]([C@@H](C)O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (341/356 = 96%)^† (Bos taurus (bovine))	BDBM28393 ((+)-EHNA \| (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.14E+3	-34.5	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
Universita di Pisa					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