BDBM50365317 CHEMBL1955923

SMILES: CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C

InChI Key: InChIKey=XTPGQKWWIMCPGM-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 = 50365317   

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))	BDBM50365317 (CHEMBL1955923) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C Show InChI InChI=1S/C16H21N5O3/c1-4-6-20-12-8-10(11-9-13(22)18-19(11)3)17-14(12)15(23)21(7-5-2)16(20)24/h8-9,17H,4-7H2,1-3H3,(H,18,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	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))	BDBM50365317 (CHEMBL1955923) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C Show InChI InChI=1S/C16H21N5O3/c1-4-6-20-12-8-10(11-9-13(22)18-19(11)3)17-14(12)15(23)21(7-5-2)16(20)24/h8-9,17H,4-7H2,1-3H3,(H,18,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	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 A2a (Homo sapiens (Human))	BDBM50365317 (CHEMBL1955923) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C Show InChI InChI=1S/C16H21N5O3/c1-4-6-20-12-8-10(11-9-13(22)18-19(11)3)17-14(12)15(23)21(7-5-2)16(20)24/h8-9,17H,4-7H2,1-3H3,(H,18,22)	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	960	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 A3 (Homo sapiens (Human))	BDBM50365317 (CHEMBL1955923) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C Show InChI InChI=1S/C16H21N5O3/c1-4-6-20-12-8-10(11-9-13(22)18-19(11)3)17-14(12)15(23)21(7-5-2)16(20)24/h8-9,17H,4-7H2,1-3H3,(H,18,22)	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 A2b (Homo sapiens (Human))	BDBM50365317 (CHEMBL1955923) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C Show InChI InChI=1S/C16H21N5O3/c1-4-6-20-12-8-10(11-9-13(22)18-19(11)3)17-14(12)15(23)21(7-5-2)16(20)24/h8-9,17H,4-7H2,1-3H3,(H,18,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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