BDBM50176764 8-(1-((5-(3-chlorophenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200417

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(Cl)c2)c1

InChI Key: InChIKey=KDLPGEPENKAHRB-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 = 50176764   

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))	BDBM50176764 (8-(1-((5-(3-chlorophenyl)isoxazol-3-yl)methyl)-1H-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(Cl)c2)c1 Show InChI InChI=1S/C24H24ClN7O3/c1-3-8-31-22-20(23(33)32(9-4-2)24(31)34)27-21(28-22)16-12-26-30(13-16)14-18-11-19(35-29-18)15-6-5-7-17(25)10-15/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	163	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 Adenosine A2B receptor expressed in HEK cells				Bioorg Med Chem Lett 16: 302-6 (2005) Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50176764 (8-(1-((5-(3-chlorophenyl)isoxazol-3-yl)methyl)-1H-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(Cl)c2)c1 Show InChI InChI=1S/C24H24ClN7O3/c1-3-8-31-22-20(23(33)32(9-4-2)24(31)34)27-21(28-22)16-12-26-30(13-16)14-18-11-19(35-29-18)15-6-5-7-17(25)10-15/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+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 Adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 302-6 (2005) Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176764 (8-(1-((5-(3-chlorophenyl)isoxazol-3-yl)methyl)-1H-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(Cl)c2)c1 Show InChI InChI=1S/C24H24ClN7O3/c1-3-8-31-22-20(23(33)32(9-4-2)24(31)34)27-21(28-22)16-12-26-30(13-16)14-18-11-19(35-29-18)15-6-5-7-17(25)10-15/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+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 Adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 302-6 (2005) Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176764 (8-(1-((5-(3-chlorophenyl)isoxazol-3-yl)methyl)-1H-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(Cl)c2)c1 Show InChI InChI=1S/C24H24ClN7O3/c1-3-8-31-22-20(23(33)32(9-4-2)24(31)34)27-21(28-22)16-12-26-30(13-16)14-18-11-19(35-29-18)15-6-5-7-17(25)10-15/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,27,28)	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	>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 Adenosine A2A receptor expressed in HEK cells				Bioorg Med Chem Lett 16: 302-6 (2005) Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1
					More data for this Ligand-Target Pair