Affinity Data by PubMed id=26356532

PubMed code 26356532

Found 39 hits of 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 receptor A3 (Homo sapiens (Human))	BDBM50117215 (5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM108255 (US8609833, 86) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor by scintillation spectroscopy				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Binding affinity to adenosine A3 receptor (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50118810 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50148580 (CHEMBL3770601) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [3H]-PIA from human recombinant adenosine A1 receptor after 60 mins by gamma counting analysis				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50118810 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Binding affinity to adenosine A3 receptor (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50074225 (6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Antagonist activity at adenosine A3 receptor in human NPE cells assessed as inhibition of adenosine-triggered cell shrinkage				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50148580 (CHEMBL3770601) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine 2A receptor after 60 mins by gamma counting analysis				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50148580 (CHEMBL3770601) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine 2A receptor after 60 mins by gamma counting analysis				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50148601 (CHEMBL3771367) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human brain adenosine A3 receptor expressed in HEK293 cells				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50453216 (2-(l-hexyn-l-yl)adenosine (8, YT-146) \| CHEMBL2113...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [3H]-CGS2168 from human recombinant adenosine A2A receptor				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50148599 (CHEMBL3770782) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [3H]-CGS2168 from human recombinant adenosine A2A receptor				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50148600 (CHEMBL3770003) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human brain adenosine A3 receptor expressed in HEK293 cells				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50148580 (CHEMBL3770601) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Agonist activity at recombinant human adenosine A2B receptor assessed as cAMP accumulation preincubated for 45 mins followed by forskolin addition me...				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50148602 (CHEMBL3770194) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50148579 (CHEMBL3770836) Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50148579 (CHEMBL3770836) Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50148578 (CHEMBL3770730) Show SMILES NC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM25474 (JMC516642 Compound 5 \| N-{2-[2-(dimethylamino)etho...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using STK2 as substrate after 1 hr				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50148578 (CHEMBL3770730) Show SMILES NC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50087135 (CHEMBL3426621) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Antagonist activity at adenosine A3 receptor in human NPE cells assessed as inhibition of adenosine-triggered cell shrinkage				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50087135 (CHEMBL3426621) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM25474 (JMC516642 Compound 5 \| N-{2-[2-(dimethylamino)etho...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50148577 (CHEMBL1994526) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50148577 (CHEMBL1994526) Show SMILES 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 Patents	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14027 (5-(1,4-diazepan-1-ylsulfonyl)isoquinoline \| 5-(1,4...) Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM14027 (5-(1,4-diazepan-1-ylsulfonyl)isoquinoline \| 5-(1,4...) Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin)				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Homo sapiens (Human))	BDBM14487 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioinos...				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50148598 (ATL-313 \| DE-112 \| Evodenoson) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of 2-[2-(4-amino-3-[125I]iodophenyl)ethylamino]adenosine from human recombinant adenosine A2A receptor expressed in HEK293 cells				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50009552 (2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [3H] CGS 21680 from rat hippocampus adenosine A1 receptor				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM14487 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Agonist activity at human adenosine A2B receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioino...				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM14487 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioinos...				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM14487 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	730	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Agonist activity at human adenosine A2A receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioino...				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

* indicates data uncertainty>20%