BDBM50241444 6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)phenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::6-{4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl}-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL409514

SMILES: CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1

InChI Key: InChIKey=GOZZQPGHJOJDJZ-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 = 50241444   

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))	BDBM50241444 (6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)pheny...) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C31H37N5O4/c1-3-14-35-27-20-26(32-29(27)30(38)36(15-4-2)31(35)39)24-10-12-25(13-11-24)40-22-28(37)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-13,20,32H,3-4,14-19,21-22H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50241444 (6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)pheny...) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C31H37N5O4/c1-3-14-35-27-20-26(32-29(27)30(38)36(15-4-2)31(35)39)24-10-12-25(13-11-24)40-22-28(37)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-13,20,32H,3-4,14-19,21-22H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2852-69 (2008) Checked by Author Article DOI: 10.1016/j.bmc.2008.01.002 BindingDB Entry DOI: 10.7270/Q2G73FMZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50241444 (6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)pheny...) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C31H37N5O4/c1-3-14-35-27-20-26(32-29(27)30(38)36(15-4-2)31(35)39)24-10-12-25(13-11-24)40-22-28(37)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-13,20,32H,3-4,14-19,21-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50241444 (6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)pheny...) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C31H37N5O4/c1-3-14-35-27-20-26(32-29(27)30(38)36(15-4-2)31(35)39)24-10-12-25(13-11-24)40-22-28(37)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-13,20,32H,3-4,14-19,21-22H2,1-2H3	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	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in human HeLa cells				Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50241444 (6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)pheny...) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C31H37N5O4/c1-3-14-35-27-20-26(32-29(27)30(38)36(15-4-2)31(35)39)24-10-12-25(13-11-24)40-22-28(37)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-13,20,32H,3-4,14-19,21-22H2,1-2H3	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	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 16: 2852-69 (2008) Checked by Author Article DOI: 10.1016/j.bmc.2008.01.002 BindingDB Entry DOI: 10.7270/Q2G73FMZ
					More data for this Ligand-Target Pair