Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50017991   

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 A1 (Rattus norvegicus (rat))	BDBM50017991 (7-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C33H43N7O9/c1-3-19-38-31-29(32(46)39(20-4-2)33(38)47)36-30(37-31)22-11-13-23(14-12-22)48-21-25(42)35-18-17-34-24(41)9-7-5-6-8-10-28(45)49-40-26(43)15-16-27(40)44/h11-14H,3-10,15-21H2,1-2H3,(H,34,41)(H,35,42)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.				J Med Chem 32: 1043-51 (1989) BindingDB Entry DOI: 10.7270/Q2WQ04CH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50017991 (7-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C33H43N7O9/c1-3-19-38-31-29(32(46)39(20-4-2)33(38)47)36-30(37-31)22-11-13-23(14-12-22)48-21-25(42)35-18-17-34-24(41)9-7-5-6-8-10-28(45)49-40-26(43)15-16-27(40)44/h11-14H,3-10,15-21H2,1-2H3,(H,34,41)(H,35,42)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes				J Med Chem 32: 1873-9 (1989) BindingDB Entry DOI: 10.7270/Q2708213
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50017991 (7-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C33H43N7O9/c1-3-19-38-31-29(32(46)39(20-4-2)33(38)47)36-30(37-31)22-11-13-23(14-12-22)48-21-25(42)35-18-17-34-24(41)9-7-5-6-8-10-28(45)49-40-26(43)15-16-27(40)44/h11-14H,3-10,15-21H2,1-2H3,(H,34,41)(H,35,42)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Affinity for Adenosine A1 receptor using [N6-[(3-[125I]-iodo-4-aminophenyl)ethyl]adenosine in calf brain				J Med Chem 32: 1043-51 (1989) BindingDB Entry DOI: 10.7270/Q2WQ04CH
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50017991 (7-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C33H43N7O9/c1-3-19-38-31-29(32(46)39(20-4-2)33(38)47)36-30(37-31)22-11-13-23(14-12-22)48-21-25(42)35-18-17-34-24(41)9-7-5-6-8-10-28(45)49-40-26(43)15-16-27(40)44/h11-14H,3-10,15-21H2,1-2H3,(H,34,41)(H,35,42)(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	207	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of binding of [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranes				J Med Chem 32: 1873-9 (1989) BindingDB Entry DOI: 10.7270/Q2708213
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50017991 (7-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C33H43N7O9/c1-3-19-38-31-29(32(46)39(20-4-2)33(38)47)36-30(37-31)22-11-13-23(14-12-22)48-21-25(42)35-18-17-34-24(41)9-7-5-6-8-10-28(45)49-40-26(43)15-16-27(40)44/h11-14H,3-10,15-21H2,1-2H3,(H,34,41)(H,35,42)(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	207	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]N-ethyladenosine-5'-uronamide binding to Adenosine A2 receptor of rat striatal membrane				J Med Chem 32: 1043-51 (1989) BindingDB Entry DOI: 10.7270/Q2WQ04CH
					More data for this Ligand-Target Pair