BDBM50233100 1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL251881

SMILES: FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1

InChI Key: InChIKey=IBGNDMUTTAHMDK-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 = 50233100   

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))	BDBM50233100 (1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)15-5-3-13(4-6-15)17-7-16(31-36-17)11-32-10-14(8-27-32)19-28-18-20(29-19)30-22(35)33(21(18)34)9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,28,29)(H,30,35)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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))	BDBM50233100 (1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)15-5-3-13(4-6-15)17-7-16(31-36-17)11-32-10-14(8-27-32)19-28-18-20(29-19)30-22(35)33(21(18)34)9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,28,29)(H,30,35)	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	>5.00E+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))	BDBM50233100 (1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)15-5-3-13(4-6-15)17-7-16(31-36-17)11-32-10-14(8-27-32)19-28-18-20(29-19)30-22(35)33(21(18)34)9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,28,29)(H,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50233100 (1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)15-5-3-13(4-6-15)17-7-16(31-36-17)11-32-10-14(8-27-32)19-28-18-20(29-19)30-22(35)33(21(18)34)9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,28,29)(H,30,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+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 [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