BDBM50427585 CHEMBL2322917

SMILES: Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=OSXQTDKHWVGIFS-UHFFFAOYSA-N

Data: 8 KI  4 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 12 hits for monomerid = 50427585   

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 A1 (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis				Eur J Med Chem 84: 614-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.060 BindingDB Entry DOI: 10.7270/Q2BG2QNH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method				Eur J Med Chem 108: 117-33 (2016) BindingDB Entry DOI: 10.7270/Q2NK3GWZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method				Bioorg Med Chem 24: 2794-808 (2016) BindingDB Entry DOI: 10.7270/Q23X88JC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cells after 120 mins by scintillation counting analysis				J Med Chem 56: 2256-69 (2013) Article DOI: 10.1021/jm400068e BindingDB Entry DOI: 10.7270/Q29K4CKZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	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	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 at human A2A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Eur J Med Chem 108: 117-33 (2016) BindingDB Entry DOI: 10.7270/Q2NK3GWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	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	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method				Bioorg Med Chem 24: 2794-808 (2016) BindingDB Entry DOI: 10.7270/Q23X88JC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	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	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A adenosine receptor expressed in CHO cells after 60 mins by scintillation counting analysis				J Med Chem 56: 2256-69 (2013) Article DOI: 10.1021/jm400068e BindingDB Entry DOI: 10.7270/Q29K4CKZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	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	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells by scintillation counting analysis				Eur J Med Chem 84: 614-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.060 BindingDB Entry DOI: 10.7270/Q2BG2QNH
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition of human A2B adenosine receptor transfected in CHO cells assessed as inhibition of NECA-induced cyclic AMP production after 10 mins by com...				J Med Chem 56: 2256-69 (2013) Article DOI: 10.1021/jm400068e BindingDB Entry DOI: 10.7270/Q29K4CKZ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated cAMP level preincubated...				Bioorg Med Chem 24: 2794-808 (2016) BindingDB Entry DOI: 10.7270/Q23X88JC
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP production by scintillation counting ...				Eur J Med Chem 108: 117-33 (2016) BindingDB Entry DOI: 10.7270/Q2NK3GWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP level by scintillation coun...				Eur J Med Chem 84: 614-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.060 BindingDB Entry DOI: 10.7270/Q2BG2QNH
					More data for this Ligand-Target Pair