BDBM50364054 CHEMBL1950660

SMILES: [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])nc(-[#7]-[#6]-[#6]-c3ccc(-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)cc3)nc12

InChI Key: InChIKey=FFIPZTPOXCHWRL-IIHBFDQCSA-N

Data: 3 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 3 hits for monomerid = 50364054   

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 A2a (Homo sapiens (Human))	BDBM50364054 (CHEMBL1950660) Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])nc(-[#7]-[#6]-[#6]-c3ccc(-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)cc3)nc12 |r| Show InChI InChI=1S/C29H41N11O7/c1-2-33-25(44)22-20(42)21(43)26(47-22)40-14-36-19-23(30)38-29(39-24(19)40)35-13-11-16-7-5-15(6-8-16)9-10-18(41)37-17(27(45)46)4-3-12-34-28(31)32/h5-8,14,17,20-22,26,42-43H,2-4,9-13H2,1H3,(H,33,44)(H,37,41)(H,45,46)(H4,31,32,34)(H3,30,35,38,39)/t17-,20+,21-,22+,26-/m1/s1	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	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5'-N-ethylcarboxamido-adenosine from human A2A adenosine receptor expressed in HEK293 cell...				J Med Chem 55: 538-52 (2012) Article DOI: 10.1021/jm201461q BindingDB Entry DOI: 10.7270/Q22Z160R
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50364054 (CHEMBL1950660) Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])nc(-[#7]-[#6]-[#6]-c3ccc(-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)cc3)nc12 |r| Show InChI InChI=1S/C29H41N11O7/c1-2-33-25(44)22-20(42)21(43)26(47-22)40-14-36-19-23(30)38-29(39-24(19)40)35-13-11-16-7-5-15(6-8-16)9-10-18(41)37-17(27(45)46)4-3-12-34-28(31)32/h5-8,14,17,20-22,26,42-43H,2-4,9-13H2,1H3,(H,33,44)(H,37,41)(H,45,46)(H4,31,32,34)(H3,30,35,38,39)/t17-,20+,21-,22+,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3 adenosine receptor expressed in CHO cell membranes after ...				J Med Chem 55: 538-52 (2012) Article DOI: 10.1021/jm201461q BindingDB Entry DOI: 10.7270/Q22Z160R
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50364054 (CHEMBL1950660) Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])nc(-[#7]-[#6]-[#6]-c3ccc(-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)cc3)nc12 |r| Show InChI InChI=1S/C29H41N11O7/c1-2-33-25(44)22-20(42)21(43)26(47-22)40-14-36-19-23(30)38-29(39-24(19)40)35-13-11-16-7-5-15(6-8-16)9-10-18(41)37-17(27(45)46)4-3-12-34-28(31)32/h5-8,14,17,20-22,26,42-43H,2-4,9-13H2,1H3,(H,33,44)(H,37,41)(H,45,46)(H4,31,32,34)(H3,30,35,38,39)/t17-,20+,21-,22+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]N6-phenylisopropyladenosine from human A1 adenosine receptor expressed in CHO cell membranes after 60 mins				J Med Chem 55: 538-52 (2012) Article DOI: 10.1021/jm201461q BindingDB Entry DOI: 10.7270/Q22Z160R
					More data for this Ligand-Target Pair