BDBM50133360 CHEMBL336217::N-[2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-naphthalen-1-yl-acetamide

SMILES: CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1

InChI Key: InChIKey=NVIJFOMRABGFQA-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 5 hits for monomerid = 50133360   

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))	BDBM50133360 (CHEMBL336217 | N-[2-Furan-2-yl-8-(3-methyl-butyl)-...) Show SMILES CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C27H25N7O2/c1-17(2)12-13-33-16-21-24(31-33)30-27(34-26(21)29-25(32-34)22-11-6-14-36-22)28-23(35)15-19-9-5-8-18-7-3-4-10-20(18)19/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,28,30,31,35)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK-293 cells				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50133360 (CHEMBL336217 | N-[2-Furan-2-yl-8-(3-methyl-butyl)-...) Show SMILES CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C27H25N7O2/c1-17(2)12-13-33-16-21-24(31-33)30-27(34-26(21)29-25(32-34)22-11-6-14-36-22)28-23(35)15-19-9-5-8-18-7-3-4-10-20(18)19/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,28,30,31,35)	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	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-ZM-241,385 from human adenosine A2A receptors expressed in HEK-293 cells				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50133360 (CHEMBL336217 | N-[2-Furan-2-yl-8-(3-methyl-butyl)-...) Show SMILES CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C27H25N7O2/c1-17(2)12-13-33-16-21-24(31-33)30-27(34-26(21)29-25(32-34)22-11-6-14-36-22)28-23(35)15-19-9-5-8-18-7-3-4-10-20(18)19/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,28,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50133360 (CHEMBL336217 | N-[2-Furan-2-yl-8-(3-methyl-butyl)-...) Show SMILES CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C27H25N7O2/c1-17(2)12-13-33-16-21-24(31-33)30-27(34-26(21)29-25(32-34)22-11-6-14-36-22)28-23(35)15-19-9-5-8-18-7-3-4-10-20(18)19/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,28,30,31,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-MRE3008-F20 from human A3 receptors expressed in HEK-293 cells				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50133360 (CHEMBL336217 | N-[2-Furan-2-yl-8-(3-methyl-butyl)-...) Show SMILES CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C27H25N7O2/c1-17(2)12-13-33-16-21-24(31-33)30-27(34-26(21)29-25(32-34)22-11-6-14-36-22)28-23(35)15-19-9-5-8-18-7-3-4-10-20(18)19/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,28,30,31,35)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Inhibitory activity against NECA stimulated cAMP accumulation in CHO cells expressing human adenosine A2B receptor				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
					More data for this Ligand-Target Pair