BDBM50368951 CHEMBL611599

SMILES: Cc1ccc(Cn2cc(CCNc3ncnc4n(cnc34)C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3ccccc23)cc1C

InChI Key: InChIKey=PAMVRGDIJNOLHC-MQFZPSJKSA-N

Data: 1 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 1 hit for monomerid = 50368951   

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))	BDBM50368951 (CHEMBL611599) Show SMILES Cc1ccc(Cn2cc(CCNc3ncnc4n(cnc34)C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3ccccc23)cc1C |r| Show InChI InChI=1S/C32H35N7O4/c1-18-7-8-20(13-19(18)2)14-38-15-21(23-5-3-4-6-24(23)38)11-12-33-29-25-30(35-16-34-29)39(17-36-25)32-27(41)26(40)28(43-32)31(42)37-22-9-10-22/h3-8,13,15-17,22,26-28,32,40-41H,9-12,14H2,1-2H3,(H,37,42)(H,33,34,35)/t26-,27+,28-,32?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.				J Med Chem 37: 4307-16 (1995) BindingDB Entry DOI: 10.7270/Q2J38T68
					More data for this Ligand-Target Pair