BDBM50037436 CHEMBL112034::N-Carboxymethyl-N-[(2-{2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethylcarbamoyl)-methyl]-succinamic acid

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CN(CC(O)=O)C(=O)CCC(O)=O)cc1

InChI Key: InChIKey=IBNZASFOCZSANB-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 = 50037436   

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))	BDBM50037436 (CHEMBL112034 | N-Carboxymethyl-N-[(2-{2-[4-(2,6-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CN(CC(O)=O)C(=O)CCC(O)=O)cc1 Show InChI InChI=1S/C29H37N7O10/c1-3-13-35-27-25(28(44)36(14-4-2)29(35)45)32-26(33-27)18-5-7-19(8-6-18)46-17-21(38)31-12-11-30-20(37)15-34(16-24(42)43)22(39)9-10-23(40)41/h5-8H,3-4,9-17H2,1-2H3,(H,30,37)(H,31,38)(H,32,33)(H,40,41)(H,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50037436 (CHEMBL112034 | N-Carboxymethyl-N-[(2-{2-[4-(2,6-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CN(CC(O)=O)C(=O)CCC(O)=O)cc1 Show InChI InChI=1S/C29H37N7O10/c1-3-13-35-27-25(28(44)36(14-4-2)29(35)45)32-26(33-27)18-5-7-19(8-6-18)46-17-21(38)31-12-11-30-20(37)15-34(16-24(42)43)22(39)9-10-23(40)41/h5-8H,3-4,9-17H2,1-2H3,(H,30,37)(H,31,38)(H,32,33)(H,40,41)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50037436 (CHEMBL112034 | N-Carboxymethyl-N-[(2-{2-[4-(2,6-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CN(CC(O)=O)C(=O)CCC(O)=O)cc1 Show InChI InChI=1S/C29H37N7O10/c1-3-13-35-27-25(28(44)36(14-4-2)29(35)45)32-26(33-27)18-5-7-19(8-6-18)46-17-21(38)31-12-11-30-20(37)15-34(16-24(42)43)22(39)9-10-23(40)41/h5-8H,3-4,9-17H2,1-2H3,(H,30,37)(H,31,38)(H,32,33)(H,40,41)(H,42,43)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.99E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from membranes of CHO cells stably transfected with the rat adenosine A3 receptor cDNA				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair