BDBM50238386 CHEMBL4068548

SMILES: Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(O)c1

InChI Key: InChIKey=KRTWVDXLRBRAQC-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50238386   

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))	BDBM50238386 (CHEMBL4068548) Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(O)c1 Show InChI InChI=1S/C17H13N5O2/c18-15-16-20-22(12-6-2-1-3-7-12)17(24)21(16)10-14(19-15)11-5-4-8-13(23)9-11/h1-10,23H,(H2,18,19)	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	3.5	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]NECA from human adenosine receptor A2A expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method				J Med Chem 60: 5772-5790 (2017) Article DOI: 10.1021/acs.jmedchem.7b00457 BindingDB Entry DOI: 10.7270/Q21V5H87
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50238386 (CHEMBL4068548) Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(O)c1 Show InChI InChI=1S/C17H13N5O2/c18-15-16-20-22(12-6-2-1-3-7-12)17(24)21(16)10-14(19-15)11-5-4-8-13(23)9-11/h1-10,23H,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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]CCPA from human adenosine receptor A1 expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method				J Med Chem 60: 5772-5790 (2017) Article DOI: 10.1021/acs.jmedchem.7b00457 BindingDB Entry DOI: 10.7270/Q21V5H87
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50238386 (CHEMBL4068548) Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(O)c1 Show InChI InChI=1S/C17H13N5O2/c18-15-16-20-22(12-6-2-1-3-7-12)17(24)21(16)10-14(19-15)11-5-4-8-13(23)9-11/h1-10,23H,(H2,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	134	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 Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, using [3H]5-HT				J Med Chem 60: 5772-5790 (2017) Article DOI: 10.1021/acs.jmedchem.7b00457 BindingDB Entry DOI: 10.7270/Q21V5H87
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50238386 (CHEMBL4068548) Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(O)c1 Show InChI InChI=1S/C17H13N5O2/c18-15-16-20-22(12-6-2-1-3-7-12)17(24)21(16)10-14(19-15)11-5-4-8-13(23)9-11/h1-10,23H,(H2,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	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 receptor A2B expressed in CHO cell membranes assessed as inhibition of NECA-induced increase of cAMP accumulat...				J Med Chem 60: 5772-5790 (2017) Article DOI: 10.1021/acs.jmedchem.7b00457 BindingDB Entry DOI: 10.7270/Q21V5H87
					More data for this Ligand-Target Pair