BDBM50021082 1,3-Dicyclohexyl-1-{2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetyl}-urea::CHEMBL286493

SMILES: CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1

InChI Key: InChIKey=CZFALUGXZQSBBJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50021082   

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 A1 (Rattus norvegicus (rat))	BDBM50021082 (1,3-Dicyclohexyl-1-{2-[4-(2,6-dioxo-1,3-dipropyl-2...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1 Show InChI InChI=1S/C32H44N6O5/c1-3-19-36-29-27(30(40)37(20-4-2)32(36)42)34-28(35-29)22-15-17-25(18-16-22)43-21-26(39)38(24-13-9-6-10-14-24)31(41)33-23-11-7-5-8-12-23/h15-18,23-24H,3-14,19-21H2,1-2H3,(H,33,41)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.				J Med Chem 28: 1334-40 (1985) BindingDB Entry DOI: 10.7270/Q22Z14HN
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Homo sapiens (Human))	BDBM50021082 (1,3-Dicyclohexyl-1-{2-[4-(2,6-dioxo-1,3-dipropyl-2...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1 Show InChI InChI=1S/C32H44N6O5/c1-3-19-36-29-27(30(40)37(20-4-2)32(36)42)34-28(35-29)22-15-17-25(18-16-22)43-21-26(39)38(24-13-9-6-10-14-24)31(41)33-23-11-7-5-8-12-23/h15-18,23-24H,3-14,19-21H2,1-2H3,(H,33,41)(H,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.				J Med Chem 28: 1334-40 (1985) BindingDB Entry DOI: 10.7270/Q22Z14HN
					More data for this Ligand-Target Pair