BDBM50047982 CHEMBL3314879

SMILES: CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1

InChI Key: InChIKey=KREPMYGREGKWTJ-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 = 50047982   

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))	BDBM50047982 (CHEMBL3314879) Show SMILES CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16N6O3/c1-20-18(27)13-11-21-19(22-15(26)10-12-6-3-2-4-7-12)25-17(13)23-16(24-25)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,27)(H,21,22,26)	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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50047982 (CHEMBL3314879) Show SMILES CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16N6O3/c1-20-18(27)13-11-21-19(22-15(26)10-12-6-3-2-4-7-12)25-17(13)23-16(24-25)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,27)(H,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50047982 (CHEMBL3314879) Show SMILES CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16N6O3/c1-20-18(27)13-11-21-19(22-15(26)10-12-6-3-2-4-7-12)25-17(13)23-16(24-25)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,27)(H,21,22,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50047982 (CHEMBL3314879) Show SMILES CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16N6O3/c1-20-18(27)13-11-21-19(22-15(26)10-12-6-3-2-4-7-12)25-17(13)23-16(24-25)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,27)(H,21,22,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair