Identical Ligands in BindingDB

Found 9 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	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine kinase   (310/343 = 90%)† (Rattus norvegicus (rat))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase   (310/343 = 90%)† (Rattus norvegicus (rat))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Adenosine kinase of rat brain cytosol.				Bioorg Med Chem Lett 11: 2419-22 (2001) BindingDB Entry DOI: 10.7270/Q2M32V1S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase   (310/343 = 90%)† (Rattus norvegicus (rat))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Adenosine kinase (AK)				J Med Chem 44: 2133-8 (2001) BindingDB Entry DOI: 10.7270/Q25D8R47
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase   (341/343 > 99%)† (Homo sapiens (Human))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	8.91	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of the adenosine kinase (AK) activity.				Bioorg Med Chem Lett 14: 3077-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.040 BindingDB Entry DOI: 10.7270/Q2CZ38BM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase   (341/343 > 99%)† (Homo sapiens (Human))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase activity				Bioorg Med Chem Lett 12: 899-902 (2002) BindingDB Entry DOI: 10.7270/Q2NP23QT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase   (341/343 > 99%)† (Homo sapiens (Human))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand				J Med Chem 48: 6430-41 (2005) Article DOI: 10.1021/jm0503650 BindingDB Entry DOI: 10.7270/Q2DV1JFS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase   (341/343 > 99%)† (Homo sapiens (Human))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase				J Med Chem 43: 2883-93 (2000) BindingDB Entry DOI: 10.7270/Q2XG9QCV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase   (341/343 > 99%)† (Homo sapiens (Human))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	22.8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma) cells.				J Med Chem 44: 2133-8 (2001) BindingDB Entry DOI: 10.7270/Q25D8R47
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase   (341/343 > 99%)† (Homo sapiens (Human))	BDBM14486 ((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	n/a	n/a	9.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of adenosine kinase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-004-0048-0 BindingDB Entry DOI: 10.7270/Q2XG9V11
					More data for this Ligand-Target Pair				3D Structure (crystal)

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