BDBM50230291 CHEMBL610440

SMILES: CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCNC(=O)Cc4ccc(N)c(I)c4)cc3)nc12

InChI Key: InChIKey=KLYNHNRDBNYXCB-MQFZPSJKSA-N

Data: 1 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 1 hit for monomerid = 50230291   

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))	BDBM50230291 (CHEMBL610440) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCNC(=O)Cc4ccc(N)c(I)c4)cc3)nc12 |r| Show InChI InChI=1S/C33H41IN10O6/c1-2-37-31(49)28-26(47)27(48)32(50-28)44-17-41-25-29(36)42-33(43-30(25)44)40-12-11-19-5-3-18(4-6-19)8-10-23(45)38-13-14-39-24(46)16-20-7-9-22(35)21(34)15-20/h3-7,9,15,17,26-28,32,47-48H,2,8,10-14,16,35H2,1H3,(H,37,49)(H,38,45)(H,39,46)(H3,36,40,42,43)/t26-,27+,28-,32?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor using [3H]- NECA				J Med Chem 35: 407-22 (1992) BindingDB Entry DOI: 10.7270/Q2Z89D1W
					More data for this Ligand-Target Pair