BDBM50367868 CHEMBL604357

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

InChI Key: InChIKey=PNYXTGUGWYUTNA-BDLYKZPXSA-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 = 50367868   

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))	BDBM50367868 (CHEMBL604357) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CBr)cc4)cc3)ncnc12 |r| Show InChI InChI=1S/C30H33BrN8O7/c31-13-24(43)33-10-9-32-22(41)11-17-1-5-19(6-2-17)37-23(42)12-18-3-7-20(8-4-18)38-28-25-29(35-15-34-28)39(16-36-25)30-27(45)26(44)21(14-40)46-30/h1-8,15-16,21,26-27,30,40,44-45H,9-14H2,(H,32,41)(H,33,43)(H,37,42)(H,34,35,38)/t21-,26-,27-,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	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))	BDBM50367868 (CHEMBL604357) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CBr)cc4)cc3)ncnc12 |r| Show InChI InChI=1S/C30H33BrN8O7/c31-13-24(43)33-10-9-32-22(41)11-17-1-5-19(6-2-17)37-23(42)12-18-3-7-20(8-4-18)38-28-25-29(35-15-34-28)39(16-36-25)30-27(45)26(44)21(14-40)46-30/h1-8,15-16,21,26-27,30,40,44-45H,9-14H2,(H,32,41)(H,33,43)(H,37,42)(H,34,35,38)/t21-,26-,27-,30?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	202	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibitory affinity for Adenosine A2 receptor using [3H]N-ethyladenosine-5'-uronamide				J Med Chem 32: 1043-51 (1989) BindingDB Entry DOI: 10.7270/Q2WQ04CH
					More data for this Ligand-Target Pair