BDBM50367687 CHEMBL604819

SMILES: CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cc(OC)cc(OC)c3)c3ccccc3C)ncnc12

InChI Key: InChIKey=VEWRSKPOMOMLIE-SDYKBXRHSA-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 = 50367687   

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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367687 (CHEMBL604819) Show SMILES CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cc(OC)cc(OC)c3)c3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C28H32N6O6/c1-15-7-5-6-8-19(15)20(16-9-17(38-3)11-18(10-16)39-4)12-30-25-21-26(32-13-31-25)34(14-33-21)28-23(36)22(35)24(40-28)27(37)29-2/h5-11,13-14,20,22-24,28,35-36H,12H2,1-4H3,(H,29,37)(H,30,31,32)/t20?,22-,23+,24-,28?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at adenosine A2 receptor from rat striatal membranes by [3H]NECA displacement.				J Med Chem 31: 1282-5 (1988) BindingDB Entry DOI: 10.7270/Q2KK9CCN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367687 (CHEMBL604819) Show SMILES CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cc(OC)cc(OC)c3)c3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C28H32N6O6/c1-15-7-5-6-8-19(15)20(16-9-17(38-3)11-18(10-16)39-4)12-30-25-21-26(32-13-31-25)34(14-33-21)28-23(36)22(35)24(40-28)27(37)29-2/h5-11,13-14,20,22-24,28,35-36H,12H2,1-4H3,(H,29,37)(H,30,31,32)/t20?,22-,23+,24-,28?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at adenosine A1 receptor from rat brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 31: 1282-5 (1988) BindingDB Entry DOI: 10.7270/Q2KK9CCN
					More data for this Ligand-Target Pair