BDBM50110967 4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid::CHEMBL35094

SMILES: CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=LMILITTYMRTXLT-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 = 50110967   

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))	BDBM50110967 (4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C16H16N4O4/c1-2-3-8-20-14(21)11-13(19-16(20)24)18-12(17-11)9-4-6-10(7-5-9)15(22)23/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,24)(H,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110967 (4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C16H16N4O4/c1-2-3-8-20-14(21)11-13(19-16(20)24)18-12(17-11)9-4-6-10(7-5-9)15(22)23/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,24)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	481	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50110967 (4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C16H16N4O4/c1-2-3-8-20-14(21)11-13(19-16(20)24)18-12(17-11)9-4-6-10(7-5-9)15(22)23/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,24)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding against human Adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50110967 (4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C16H16N4O4/c1-2-3-8-20-14(21)11-13(19-16(20)24)18-12(17-11)9-4-6-10(7-5-9)15(22)23/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,24)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-MSX-2 binding to rat adenosine A2A receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50110967 (4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C16H16N4O4/c1-2-3-8-20-14(21)11-13(19-16(20)24)18-12(17-11)9-4-6-10(7-5-9)15(22)23/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,24)(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-PSB-11 binding to human Adenosine A3 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair