BDBM50232044 CHEMBL4083317

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1

InChI Key: InChIKey=LRXHNPHXVUPZBD-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50232044   

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))	BDBM50232044 (CHEMBL4083317) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C26H28F3N7O3/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)19-7-5-18(6-8-19)26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine receptor A2b expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP level preincubated for 15 m...				Eur J Med Chem 127: 986-996 (2017) BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232044 (CHEMBL4083317) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C26H28F3N7O3/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)19-7-5-18(6-8-19)26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50232044 (CHEMBL4083317) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C26H28F3N7O3/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)19-7-5-18(6-8-19)26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine receptor A1 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				Eur J Med Chem 127: 986-996 (2017) BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50232044 (CHEMBL4083317) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C26H28F3N7O3/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)19-7-5-18(6-8-19)26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-ZM-241385 from human adenosine receptor A2a expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting me...				Eur J Med Chem 127: 986-996 (2017) BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair