Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50397728'   

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 receptor A3 (Homo sapiens (Human))	BDBM50397728 (CHEMBL2181976) Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1 Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50397728 (CHEMBL2181976) Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1 Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50397728 (CHEMBL2181976) Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1 Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00685 BindingDB Entry DOI: 10.7270/Q2930Z2X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50397728 (CHEMBL2181976) Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1 Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00685 BindingDB Entry DOI: 10.7270/Q2930Z2X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50397728 (CHEMBL2181976) Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1 Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]I-AB-MECA from mouse adenosine A3 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00685 BindingDB Entry DOI: 10.7270/Q2930Z2X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50397728 (CHEMBL2181976) Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1 Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human adenosine A3 receptor expressed in HEK293 cells measured by radioligand binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00685 BindingDB Entry DOI: 10.7270/Q2930Z2X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50397728 (CHEMBL2181976) Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1 Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to mouse adenosine A3 receptor expressed in HEK293 cells measured by radioligand binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00685 BindingDB Entry DOI: 10.7270/Q2930Z2X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50397728 (CHEMBL2181976) Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1 Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to rat adenosine A3 receptor expressed in HEK293 cells measured by radioligand binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00685 BindingDB Entry DOI: 10.7270/Q2930Z2X
					More data for this Ligand-Target Pair