BDBM50375628 CHEMBL258755

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Cl

InChI Key: InChIKey=DRXFCXKFCJEPGW-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 = 50375628   

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))	BDBM50375628 (CHEMBL258755) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Cl Show InChI InChI=1S/C23H25Cl2N7O3/c1-4-10-30-21-19(22(34)31(11-5-2)23(30)35)27-20(28-21)18-17(25)13(3)32(29-18)12-16(33)26-15-8-6-14(24)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(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	222	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 A2a (Homo sapiens (Human))	BDBM50375628 (CHEMBL258755) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Cl Show InChI InChI=1S/C23H25Cl2N7O3/c1-4-10-30-21-19(22(34)31(11-5-2)23(30)35)27-20(28-21)18-17(25)13(3)32(29-18)12-16(33)26-15-8-6-14(24)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(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))	BDBM50375628 (CHEMBL258755) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Cl Show InChI InChI=1S/C23H25Cl2N7O3/c1-4-10-30-21-19(22(34)31(11-5-2)23(30)35)27-20(28-21)18-17(25)13(3)32(29-18)12-16(33)26-15-8-6-14(24)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(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))	BDBM50375628 (CHEMBL258755) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Cl Show InChI InChI=1S/C23H25Cl2N7O3/c1-4-10-30-21-19(22(34)31(11-5-2)23(30)35)27-20(28-21)18-17(25)13(3)32(29-18)12-16(33)26-15-8-6-14(24)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(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))	BDBM50375628 (CHEMBL258755) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Cl Show InChI InChI=1S/C23H25Cl2N7O3/c1-4-10-30-21-19(22(34)31(11-5-2)23(30)35)27-20(28-21)18-17(25)13(3)32(29-18)12-16(33)26-15-8-6-14(24)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(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