BDBM50233099 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)-1H-purine-2,6(3H,7H)-dione::CHEMBL253252

SMILES: Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1

InChI Key: InChIKey=MPEVYLSAXRNPKT-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 = 50233099   

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))	BDBM50233099 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-(cyclopro...) Show SMILES Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 Show InChI InChI=1S/C19H17FN6O2/c20-14-3-1-2-12(6-14)8-25-10-13(7-21-25)16-22-15-17(23-16)24-19(28)26(18(15)27)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,22,23)(H,24,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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 A2a (Homo sapiens (Human))	BDBM50233099 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-(cyclopro...) Show SMILES Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 Show InChI InChI=1S/C19H17FN6O2/c20-14-3-1-2-12(6-14)8-25-10-13(7-21-25)16-22-15-17(23-16)24-19(28)26(18(15)27)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,22,23)(H,24,28)	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	100	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))	BDBM50233099 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-(cyclopro...) Show SMILES Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 Show InChI InChI=1S/C19H17FN6O2/c20-14-3-1-2-12(6-14)8-25-10-13(7-21-25)16-22-15-17(23-16)24-19(28)26(18(15)27)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,22,23)(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	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