BDBM50233101 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL404131

SMILES: CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1

InChI Key: InChIKey=ZIRDIKJQVSWMQR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50233101   

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))	BDBM50233101 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-2-6-25-17(26)14-16(23-18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-4-3-5-13(19)7-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,21,22)(H,23,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50233101 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-2-6-25-17(26)14-16(23-18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-4-3-5-13(19)7-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,21,22)(H,23,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50233101 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-2-6-25-17(26)14-16(23-18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-4-3-5-13(19)7-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,21,22)(H,23,27)	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	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50233101 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-2-6-25-17(26)14-16(23-18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-4-3-5-13(19)7-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,21,22)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-CPX from human A1 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ
					More data for this Ligand-Target Pair