BDBM50367859 CHEMBL604152

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5cccc(c5)N=C=S)cc4)cc3)ncnc12

InChI Key: InChIKey=XSEHVYCANHGYTN-IFEJDVHESA-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 = 50367859   

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))	BDBM50367859 (CHEMBL604152) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5cccc(c5)N=C=S)cc4)cc3)ncnc12 |r| Show InChI InChI=1S/C36H36N10O6S2/c47-17-27-31(50)32(51)35(52-27)46-19-41-30-33(39-18-40-34(30)46)44-24-10-6-22(7-11-24)15-29(49)43-23-8-4-21(5-9-23)14-28(48)37-12-13-38-36(54)45-26-3-1-2-25(16-26)42-20-53/h1-11,16,18-19,27,31-32,35,47,50-51H,12-15,17H2,(H,37,48)(H,43,49)(H2,38,45,54)(H,39,40,44)/t27-,31-,32-,35?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.867	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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367859 (CHEMBL604152) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5cccc(c5)N=C=S)cc4)cc3)ncnc12 |r| Show InChI InChI=1S/C36H36N10O6S2/c47-17-27-31(50)32(51)35(52-27)46-19-41-30-33(39-18-40-34(30)46)44-24-10-6-22(7-11-24)15-29(49)43-23-8-4-21(5-9-23)14-28(48)37-12-13-38-36(54)45-26-3-1-2-25(16-26)42-20-53/h1-11,16,18-19,27,31-32,35,47,50-51H,12-15,17H2,(H,37,48)(H,43,49)(H2,38,45,54)(H,39,40,44)/t27-,31-,32-,35?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	176	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