BDBM50232049 CHEMBL4095843

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1

InChI Key: InChIKey=FTYUKYLDBALLID-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 = 50232049   

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))	BDBM50232049 (CHEMBL4095843) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C27H31F3N8O3/c1-3-8-37-24-22(25(40)38(9-4-2)26(37)41)32-23(33-24)18-15-31-36(16-18)17-21(39)35-12-10-34(11-13-35)20-7-5-6-19(14-20)27(28,29)30/h5-7,14-16H,3-4,8-13,17H2,1-2H3,(H,32,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	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 A2b (Homo sapiens (Human))	BDBM50232049 (CHEMBL4095843) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C27H31F3N8O3/c1-3-8-37-24-22(25(40)38(9-4-2)26(37)41)32-23(33-24)18-15-31-36(16-18)17-21(39)35-12-10-34(11-13-35)20-7-5-6-19(14-20)27(28,29)30/h5-7,14-16H,3-4,8-13,17H2,1-2H3,(H,32,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	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 A2a (Homo sapiens (Human))	BDBM50232049 (CHEMBL4095843) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C27H31F3N8O3/c1-3-8-37-24-22(25(40)38(9-4-2)26(37)41)32-23(33-24)18-15-31-36(16-18)17-21(39)35-12-10-34(11-13-35)20-7-5-6-19(14-20)27(28,29)30/h5-7,14-16H,3-4,8-13,17H2,1-2H3,(H,32,33)	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	57	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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50232049 (CHEMBL4095843) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C27H31F3N8O3/c1-3-8-37-24-22(25(40)38(9-4-2)26(37)41)32-23(33-24)18-15-31-36(16-18)17-21(39)35-12-10-34(11-13-35)20-7-5-6-19(14-20)27(28,29)30/h5-7,14-16H,3-4,8-13,17H2,1-2H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	177	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