BDBM50368205 CHEMBL2236000::CHEMBL605167

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCc4ccccc34)ncnc12

InChI Key: InChIKey=GCUDUXZVTHJHDZ-JSMJAWQLSA-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 = 50368205   

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))	BDBM50368205 (CHEMBL2236000 | CHEMBL605167) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C20H23N5O5/c26-7-13-15(27)16(28)19(30-13)25-10-24-14-17(22-9-23-18(14)25)21-8-20(29)6-5-11-3-1-2-4-12(11)20/h1-4,9-10,13,15-16,19,26-29H,5-8H2,(H,21,22,23)/t13-,15-,16-,19?,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	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 towards adenosine A1 receptor				J Med Chem 34: 1043-9 (1991) BindingDB Entry DOI: 10.7270/Q2HT2PW7
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50368205 (CHEMBL2236000 | CHEMBL605167) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C20H23N5O5/c26-7-13-15(27)16(28)19(30-13)25-10-24-14-17(22-9-23-18(14)25)21-8-20(29)6-5-11-3-1-2-4-12(11)20/h1-4,9-10,13,15-16,19,26-29H,5-8H2,(H,21,22,23)/t13-,15-,16-,19?,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	666	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 towards adenosine A2 receptor				J Med Chem 34: 1043-9 (1991) BindingDB Entry DOI: 10.7270/Q2HT2PW7
					More data for this Ligand-Target Pair