BDBM50365318 CHEMBL1955924

SMILES: CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C

InChI Key: InChIKey=DSNWPXFUFSXEPQ-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 = 50365318   

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))	BDBM50365318 (CHEMBL1955924) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C Show InChI InChI=1S/C24H27N7O3/c1-4-10-30-19-12-17(27-22(19)23(32)31(11-5-2)24(30)33)18-13-21(28-29(18)3)34-14-20-25-15-8-6-7-9-16(15)26-20/h6-9,12-13,27H,4-5,10-11,14H2,1-3H3,(H,25,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in HEK293 cells after 120 mins by scintillation counting				J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50365318 (CHEMBL1955924) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C Show InChI InChI=1S/C24H27N7O3/c1-4-10-30-19-12-17(27-22(19)23(32)31(11-5-2)24(30)33)18-13-21(28-29(18)3)34-14-20-25-15-8-6-7-9-16(15)26-20/h6-9,12-13,27H,4-5,10-11,14H2,1-3H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counting				J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50365318 (CHEMBL1955924) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C Show InChI InChI=1S/C24H27N7O3/c1-4-10-30-19-12-17(27-22(19)23(32)31(11-5-2)24(30)33)18-13-21(28-29(18)3)34-14-20-25-15-8-6-7-9-16(15)26-20/h6-9,12-13,27H,4-5,10-11,14H2,1-3H3,(H,25,26)	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
University of Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human recombinant adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting				J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50365318 (CHEMBL1955924) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C Show InChI InChI=1S/C24H27N7O3/c1-4-10-30-19-12-17(27-22(19)23(32)31(11-5-2)24(30)33)18-13-21(28-29(18)3)34-14-20-25-15-8-6-7-9-16(15)26-20/h6-9,12-13,27H,4-5,10-11,14H2,1-3H3,(H,25,26)	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
University of Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells after 120 mins by scintillation counting				J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50365318 (CHEMBL1955924) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C Show InChI InChI=1S/C24H27N7O3/c1-4-10-30-19-12-17(27-22(19)23(32)31(11-5-2)24(30)33)18-13-21(28-29(18)3)34-14-20-25-15-8-6-7-9-16(15)26-20/h6-9,12-13,27H,4-5,10-11,14H2,1-3H3,(H,25,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production aft...				J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT
					More data for this Ligand-Target Pair