BDBM82528 N6-BenzylNECA

SMILES: CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12

InChI Key: InChIKey=GIVMQDZFGHYTDS-XAUNWSGPSA-N

Data: 3 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 3 hits for monomerid = 82528   

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
ADORA3 (RAT)	BDBM82528 (N6-BenzylNECA) Show SMILES CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C20H24N6O5/c1-2-21-20(29)30-9-13-15(27)16(28)19(31-13)26-11-25-14-17(23-10-24-18(14)26)22-8-12-6-4-3-5-7-12/h3-7,10-11,13,15-16,19,27-28H,2,8-9H2,1H3,(H,21,29)(H,22,23,24)/t13-,15-,16-,19?/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82528 (N6-BenzylNECA) Show SMILES CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C20H24N6O5/c1-2-21-20(29)30-9-13-15(27)16(28)19(31-13)26-11-25-14-17(23-10-24-18(14)26)22-8-12-6-4-3-5-7-12/h3-7,10-11,13,15-16,19,27-28H,2,8-9H2,1H3,(H,21,29)(H,22,23,24)/t13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	87.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM82528 (N6-BenzylNECA) Show SMILES CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C20H24N6O5/c1-2-21-20(29)30-9-13-15(27)16(28)19(31-13)26-11-25-14-17(23-10-24-18(14)26)22-8-12-6-4-3-5-7-12/h3-7,10-11,13,15-16,19,27-28H,2,8-9H2,1H3,(H,21,29)(H,22,23,24)/t13-,15-,16-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	95.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair