BDBM50368343 CHEMBL608594

SMILES: CCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=BFWNZLHVAVJTFL-KVKATIGTSA-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 = 50368343   

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))	BDBM50368343 (CHEMBL608594) Show SMILES CCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H21N5O5/c1-2-3-8(23)4-5-10-19-14(17)11-15(20-10)21(7-18-11)16-13(25)12(24)9(6-22)26-16/h7-9,12-13,16,22-25H,2-3,6H2,1H3,(H2,17,19,20)/t8?,9-,12-,13-,16?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamasa Shoyu Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]NECA binding to adenosine A2 receptor from rat striatal membranes				J Med Chem 35: 2253-60 (1992) BindingDB Entry DOI: 10.7270/Q2VT1SQZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368343 (CHEMBL608594) Show SMILES CCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H21N5O5/c1-2-3-8(23)4-5-10-19-14(17)11-15(20-10)21(7-18-11)16-13(25)12(24)9(6-22)26-16/h7-9,12-13,16,22-25H,2-3,6H2,1H3,(H2,17,19,20)/t8?,9-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamasa Shoyu Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]CHA binding to adenosine A1 receptor from rat brain membranes				J Med Chem 35: 2253-60 (1992) BindingDB Entry DOI: 10.7270/Q2VT1SQZ
					More data for this Ligand-Target Pair