BDBM50365313 CHEMBL1955919

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)no1

InChI Key: InChIKey=KZZQMKPCBPMZPV-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 = 50365313   

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))	BDBM50365313 (CHEMBL1955919) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)no1 Show InChI InChI=1S/C22H21ClFN7O4/c1-3-5-30-20-18(21(32)31(6-4-2)22(30)33)27-19(28-20)15-9-17(29-35-15)34-10-16-25-13-7-11(23)12(24)8-14(13)26-16/h7-9H,3-6,10H2,1-2H3,(H,25,26)(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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))	BDBM50365313 (CHEMBL1955919) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)no1 Show InChI InChI=1S/C22H21ClFN7O4/c1-3-5-30-20-18(21(32)31(6-4-2)22(30)33)27-19(28-20)15-9-17(29-35-15)34-10-16-25-13-7-11(23)12(24)8-14(13)26-16/h7-9H,3-6,10H2,1-2H3,(H,25,26)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	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))	BDBM50365313 (CHEMBL1955919) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)no1 Show InChI InChI=1S/C22H21ClFN7O4/c1-3-5-30-20-18(21(32)31(6-4-2)22(30)33)27-19(28-20)15-9-17(29-35-15)34-10-16-25-13-7-11(23)12(24)8-14(13)26-16/h7-9H,3-6,10H2,1-2H3,(H,25,26)(H,27,28)	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))	BDBM50365313 (CHEMBL1955919) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)no1 Show InChI InChI=1S/C22H21ClFN7O4/c1-3-5-30-20-18(21(32)31(6-4-2)22(30)33)27-19(28-20)15-9-17(29-35-15)34-10-16-25-13-7-11(23)12(24)8-14(13)26-16/h7-9H,3-6,10H2,1-2H3,(H,25,26)(H,27,28)	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))	BDBM50365313 (CHEMBL1955919) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)no1 Show InChI InChI=1S/C22H21ClFN7O4/c1-3-5-30-20-18(21(32)31(6-4-2)22(30)33)27-19(28-20)15-9-17(29-35-15)34-10-16-25-13-7-11(23)12(24)8-14(13)26-16/h7-9H,3-6,10H2,1-2H3,(H,25,26)(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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