BDBM50423866 CHEMBL2024148

SMILES: COc1ccc(cc1)-n1nc2c(NC(=O)CCC(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4\ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)nc3ccccc3n2c1=O

InChI Key: InChIKey=FYPHWXAAZKHIFO-WBFBQHAKSA-N

Data: 1 Kd

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 = 50423866   

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 A3 (Homo sapiens (Human))	BDBM50423866 (CHEMBL2024148) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)CCC(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4\ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)nc3ccccc3n2c1=O |t:51| Show InChI InChI=1S/C57H61BF2N10O7S/c1-76-45-29-24-42(25-30-45)70-57(75)67-48-15-9-8-14-47(48)64-55(56(67)66-70)65-53(73)33-32-52(72)62-35-11-5-3-2-4-10-34-61-51(71)17-7-6-12-36-63-54(74)39-77-46-27-19-40(20-28-46)18-21-41-22-23-43-38-44-26-31-49(50-16-13-37-78-50)69(44)58(59,60)68(41)43/h8-9,13-16,18-31,37-38H,2-7,10-12,17,32-36,39H2,1H3,(H,61,71)(H,62,72)(H,63,74)(H,64,65,73)/b41-21-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of NECA-induced CRE-SPAP gene t...				J Med Chem 55: 1771-82 (2012) Article DOI: 10.1021/jm201722y BindingDB Entry DOI: 10.7270/Q2ST7R4K
					More data for this Ligand-Target Pair