BDBM50415189 CHEMBL595657

SMILES: Cn1c(Cc2c(F)cccc2F)nc2n(Cc3ccco3)c(=O)n(CC3CC3)c(=O)c12

InChI Key: InChIKey=WCFZQVPJCXXOQP-UHFFFAOYSA-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 = 50415189   

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))	BDBM50415189 (CHEMBL595657) Show SMILES Cn1c(Cc2c(F)cccc2F)nc2n(Cc3ccco3)c(=O)n(CC3CC3)c(=O)c12 Show InChI InChI=1S/C22H20F2N4O3/c1-26-18(10-15-16(23)5-2-6-17(15)24)25-20-19(26)21(29)28(11-13-7-8-13)22(30)27(20)12-14-4-3-9-31-14/h2-6,9,13H,7-8,10-12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 17: 6755-60 (2009) Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50415189 (CHEMBL595657) Show SMILES Cn1c(Cc2c(F)cccc2F)nc2n(Cc3ccco3)c(=O)n(CC3CC3)c(=O)c12 Show InChI InChI=1S/C22H20F2N4O3/c1-26-18(10-15-16(23)5-2-6-17(15)24)25-20-19(26)21(29)28(11-13-7-8-13)22(30)27(20)12-14-4-3-9-31-14/h2-6,9,13H,7-8,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX form adenosine A1 receptor in rat cortex membrane				Bioorg Med Chem 17: 6755-60 (2009) Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50415189 (CHEMBL595657) Show SMILES Cn1c(Cc2c(F)cccc2F)nc2n(Cc3ccco3)c(=O)n(CC3CC3)c(=O)c12 Show InChI InChI=1S/C22H20F2N4O3/c1-26-18(10-15-16(23)5-2-6-17(15)24)25-20-19(26)21(29)28(11-13-7-8-13)22(30)27(20)12-14-4-3-9-31-14/h2-6,9,13H,7-8,10-12H2,1H3	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	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells by microplate beta scintillation counting				Bioorg Med Chem 17: 6755-60 (2009) Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH
					More data for this Ligand-Target Pair