BDBM50375634 CHEMBL258473

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(Cl)c2)n1

InChI Key: InChIKey=JFADLCAUAYZHSS-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 = 50375634   

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))	BDBM50375634 (CHEMBL258473) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C23H26ClN7O3/c1-4-9-29-21-19(22(33)30(10-5-2)23(29)34)26-20(27-21)17-11-14(3)31(28-17)13-18(32)25-16-8-6-7-15(24)12-16/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,25,32)(H,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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 A1 (Homo sapiens (Human))	BDBM50375634 (CHEMBL258473) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C23H26ClN7O3/c1-4-9-29-21-19(22(33)30(10-5-2)23(29)34)26-20(27-21)17-11-14(3)31(28-17)13-18(32)25-16-8-6-7-15(24)12-16/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,25,32)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	675	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 A2a (Homo sapiens (Human))	BDBM50375634 (CHEMBL258473) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C23H26ClN7O3/c1-4-9-29-21-19(22(33)30(10-5-2)23(29)34)26-20(27-21)17-11-14(3)31(28-17)13-18(32)25-16-8-6-7-15(24)12-16/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,25,32)(H,26,27)	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))	BDBM50375634 (CHEMBL258473) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C23H26ClN7O3/c1-4-9-29-21-19(22(33)30(10-5-2)23(29)34)26-20(27-21)17-11-14(3)31(28-17)13-18(32)25-16-8-6-7-15(24)12-16/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,25,32)(H,26,27)	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 A2b (Homo sapiens (Human))	BDBM50375634 (CHEMBL258473) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C23H26ClN7O3/c1-4-9-29-21-19(22(33)30(10-5-2)23(29)34)26-20(27-21)17-11-14(3)31(28-17)13-18(32)25-16-8-6-7-15(24)12-16/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,25,32)(H,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	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