BDBM50051232 8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL278906

SMILES: Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=BJALMNZBJQDVQK-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50051232   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50051232 (8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...) Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50051232 (8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...) Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus (rat))	BDBM50051232 (8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...) Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Research Laboratories, Kissei Pharmaceutical Co., Ltd., 4365-1 Kashiwabara, Hotaka, Azumino, Nagano 399-8304, Japan. Curated by ChEMBL					Assay Description Binding affinity to rat A2A adenosine receptor				ACS Med Chem Lett 8: 660-665 (2017) Article DOI: 10.1021/acsmedchemlett.7b00138 BindingDB Entry DOI: 10.7270/Q2GT5QMW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051232 (8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...) Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051232 (8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...) Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair