BDBM50392818 CHEMBL2151131

SMILES: COc1ccccc1C(=O)Nc1nnc([nH]1)-c1ccccc1

InChI Key: InChIKey=BBOMCJYSCNFBOB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50392818   

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))	BDBM50392818 (CHEMBL2151131) Show SMILES COc1ccccc1C(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C16H14N4O2/c1-22-13-10-6-5-9-12(13)15(21)18-16-17-14(19-20-16)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50392818 (CHEMBL2151131) Show SMILES COc1ccccc1C(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C16H14N4O2/c1-22-13-10-6-5-9-12(13)15(21)18-16-17-14(19-20-16)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human A1 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50392818 (CHEMBL2151131) Show SMILES COc1ccccc1C(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C16H14N4O2/c1-22-13-10-6-5-9-12(13)15(21)18-16-17-14(19-20-16)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,18,19,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair