BDBM50375630 CHEMBL409685

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(CC)n(CC(=O)Nc2ccc(Cl)cc2)n1

InChI Key: InChIKey=XXXANYFKSJKWQV-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 = 50375630   

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 A2a (Homo sapiens (Human))	BDBM50375630 (CHEMBL409685) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(CC)n(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H28ClN7O3/c1-4-11-30-22-20(23(34)31(12-5-2)24(30)35)27-21(28-22)18-13-17(6-3)32(29-18)14-19(33)26-16-9-7-15(25)8-10-16/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,26,33)(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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50375630 (CHEMBL409685) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(CC)n(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H28ClN7O3/c1-4-11-30-22-20(23(34)31(12-5-2)24(30)35)27-21(28-22)18-13-17(6-3)32(29-18)14-19(33)26-16-9-7-15(25)8-10-16/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,26,33)(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375630 (CHEMBL409685) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(CC)n(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H28ClN7O3/c1-4-11-30-22-20(23(34)31(12-5-2)24(30)35)27-21(28-22)18-13-17(6-3)32(29-18)14-19(33)26-16-9-7-15(25)8-10-16/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,26,33)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375630 (CHEMBL409685) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(CC)n(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H28ClN7O3/c1-4-11-30-22-20(23(34)31(12-5-2)24(30)35)27-21(28-22)18-13-17(6-3)32(29-18)14-19(33)26-16-9-7-15(25)8-10-16/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,26,33)(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50375630 (CHEMBL409685) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(CC)n(CC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H28ClN7O3/c1-4-11-30-22-20(23(34)31(12-5-2)24(30)35)27-21(28-22)18-13-17(6-3)32(29-18)14-19(33)26-16-9-7-15(25)8-10-16/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,26,33)(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP levels				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
					More data for this Ligand-Target Pair