Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM85775'   

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))	BDBM85775 (CHEMBL315984 | MRS1097) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM85775 (CHEMBL315984 | MRS1097) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.				J Med Chem 40: 2596-608 (1997) Article DOI: 10.1021/jm970091j BindingDB Entry DOI: 10.7270/Q21V5D29
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM85775 (CHEMBL315984 | MRS1097) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM85775 (CHEMBL315984 | MRS1097) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [125 I]AB-MECA from Adenosine A3 receptor expressed in HEK cells				J Med Chem 42: 3055-65 (1999) Article DOI: 10.1021/jm980688e BindingDB Entry DOI: 10.7270/Q27W6BC3
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Chick)	BDBM85775 (CHEMBL315984 | MRS1097) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001) Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM85775 (CHEMBL315984 | MRS1097) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against rat Adenosine A3 receptor from CHO cells				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
					More data for this Ligand-Target Pair