BDBM50496130 CHEMBL3121731

SMILES: Cn1c2nc(Cc3ccc(OCCCn4ccnc4)cc3)[nH]c2c(=O)n(C)c1=O

InChI Key: InChIKey=NPCCNYZXDGBVJL-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 = 50496130   

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 A2a (Homo sapiens (Human))	BDBM50496130 (CHEMBL3121731) Show SMILES Cn1c2nc(Cc3ccc(OCCCn4ccnc4)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H22N6O3/c1-24-18-17(19(27)25(2)20(24)28)22-16(23-18)12-14-4-6-15(7-5-14)29-11-3-9-26-10-8-21-13-26/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50496130 (CHEMBL3121731) Show SMILES Cn1c2nc(Cc3ccc(OCCCn4ccnc4)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H22N6O3/c1-24-18-17(19(27)25(2)20(24)28)22-16(23-18)12-14-4-6-15(7-5-14)29-11-3-9-26-10-8-21-13-26/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496130 (CHEMBL3121731) Show SMILES Cn1c2nc(Cc3ccc(OCCCn4ccnc4)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H22N6O3/c1-24-18-17(19(27)25(2)20(24)28)22-16(23-18)12-14-4-6-15(7-5-14)29-11-3-9-26-10-8-21-13-26/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50496130 (CHEMBL3121731) Show SMILES Cn1c2nc(Cc3ccc(OCCCn4ccnc4)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H22N6O3/c1-24-18-17(19(27)25(2)20(24)28)22-16(23-18)12-14-4-6-15(7-5-14)29-11-3-9-26-10-8-21-13-26/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair