null

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC(C)=O)cc1

InChI Key: InChIKey=KMZHXHLUWQMSHF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50017999   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50017999 (6-Oxo-heptanoic acid (2-{2-[4-(2,6-dioxo-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC(C)=O)cc1 Show InChI InChI=1S/C28H38N6O6/c1-4-16-33-26-24(27(38)34(17-5-2)28(33)39)31-25(32-26)20-10-12-21(13-11-20)40-18-23(37)30-15-14-29-22(36)9-7-6-8-19(3)35/h10-13H,4-9,14-18H2,1-3H3,(H,29,36)(H,30,37)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	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 (BOVINE)	BDBM50017999 (6-Oxo-heptanoic acid (2-{2-[4-(2,6-dioxo-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC(C)=O)cc1 Show InChI InChI=1S/C28H38N6O6/c1-4-16-33-26-24(27(38)34(17-5-2)28(33)39)31-25(32-26)20-10-12-21(13-11-20)40-18-23(37)30-15-14-29-22(36)9-7-6-8-19(3)35/h10-13H,4-9,14-18H2,1-3H3,(H,29,36)(H,30,37)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20	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 [125I]APNEA in calf brain.				J Med Chem 32: 1043-51 (1989) BindingDB Entry DOI: 10.7270/Q2WQ04CH
					More data for this Ligand-Target Pair