BDBM50367861 CHEMBL603400

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCN=C=S)cc4)cc3)ncnc12

InChI Key: InChIKey=YFYOMNAXPYLINO-ZCFZTJMLSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50367861   

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 A1 receptor (BOVINE)	BDBM50367861 (CHEMBL603400) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCN=C=S)cc4)cc3)ncnc12 |r| Show InChI InChI=1S/C29H30N8O6S/c38-13-21-25(41)26(42)29(43-21)37-15-34-24-27(32-14-33-28(24)37)36-20-7-3-18(4-8-20)12-23(40)35-19-5-1-17(2-6-19)11-22(39)31-10-9-30-16-44/h1-8,14-15,21,25-26,29,38,41-42H,9-13H2,(H,31,39)(H,35,40)(H,32,33,36)/t21-,25-,26-,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367861 (CHEMBL603400) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCN=C=S)cc4)cc3)ncnc12 |r| Show InChI InChI=1S/C29H30N8O6S/c38-13-21-25(41)26(42)29(43-21)37-15-34-24-27(32-14-33-28(24)37)36-20-7-3-18(4-8-20)12-23(40)35-19-5-1-17(2-6-19)11-22(39)31-10-9-30-16-44/h1-8,14-15,21,25-26,29,38,41-42H,9-13H2,(H,31,39)(H,35,40)(H,32,33,36)/t21-,25-,26-,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	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