BDBM50365311 CHEMBL1955917

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)no1

InChI Key: InChIKey=MNIHHYOLPVXGES-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 = 50365311   

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))	BDBM50365311 (CHEMBL1955917) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)no1 Show InChI InChI=1S/C23H22F3N7O4/c1-3-7-32-20-18(21(34)33(8-4-2)22(32)35)29-19(30-20)15-10-17(31-37-15)36-11-16-27-13-6-5-12(23(24,25)26)9-14(13)28-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H,29,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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))	BDBM50365311 (CHEMBL1955917) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)no1 Show InChI InChI=1S/C23H22F3N7O4/c1-3-7-32-20-18(21(34)33(8-4-2)22(32)35)29-19(30-20)15-10-17(31-37-15)36-11-16-27-13-6-5-12(23(24,25)26)9-14(13)28-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	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))	BDBM50365311 (CHEMBL1955917) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)no1 Show InChI InChI=1S/C23H22F3N7O4/c1-3-7-32-20-18(21(34)33(8-4-2)22(32)35)29-19(30-20)15-10-17(31-37-15)36-11-16-27-13-6-5-12(23(24,25)26)9-14(13)28-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H,29,30)	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))	BDBM50365311 (CHEMBL1955917) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)no1 Show InChI InChI=1S/C23H22F3N7O4/c1-3-7-32-20-18(21(34)33(8-4-2)22(32)35)29-19(30-20)15-10-17(31-37-15)36-11-16-27-13-6-5-12(23(24,25)26)9-14(13)28-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H,29,30)	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))	BDBM50365311 (CHEMBL1955917) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)no1 Show InChI InChI=1S/C23H22F3N7O4/c1-3-7-32-20-18(21(34)33(8-4-2)22(32)35)29-19(30-20)15-10-17(31-37-15)36-11-16-27-13-6-5-12(23(24,25)26)9-14(13)28-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H,29,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	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