BDBM50410731 CHEMBL199862

SMILES: O=C(COc1ccc(cc1)-c1cc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1)Nc1ccccc1

InChI Key: InChIKey=ZYSZYFXFIMNBOF-UHFFFAOYSA-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 = 50410731   

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 A2b (Homo sapiens (Human))	BDBM50410731 (CHEMBL199862) Show SMILES O=C(COc1ccc(cc1)-c1cc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1)Nc1ccccc1 Show InChI InChI=1S/C28H28N4O4/c33-25(29-21-4-2-1-3-5-21)17-36-22-12-10-20(11-13-22)23-14-24-26(30-23)27(34)32(16-19-8-9-19)28(35)31(24)15-18-6-7-18/h1-5,10-14,18-19,30H,6-9,15-17H2,(H,29,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity to recombinant human adenosine A2B receptor				J Med Chem 49: 282-99 (2006) Article DOI: 10.1021/jm0506221 BindingDB Entry DOI: 10.7270/Q29K4CF5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50410731 (CHEMBL199862) Show SMILES O=C(COc1ccc(cc1)-c1cc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1)Nc1ccccc1 Show InChI InChI=1S/C28H28N4O4/c33-25(29-21-4-2-1-3-5-21)17-36-22-12-10-20(11-13-22)23-14-24-26(30-23)27(34)32(16-19-8-9-19)28(35)31(24)15-18-6-7-18/h1-5,10-14,18-19,30H,6-9,15-17H2,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity to recombinant human adenosine A2A receptor				J Med Chem 49: 282-99 (2006) Article DOI: 10.1021/jm0506221 BindingDB Entry DOI: 10.7270/Q29K4CF5
					More data for this Ligand-Target Pair