BDBM50392807 CHEMBL2151253

SMILES: C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc([nH]1)-c1ccccc1

InChI Key: InChIKey=CBMMTMVYWAPTAN-LLVKDONJSA-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 = 50392807   

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))	BDBM50392807 (CHEMBL2151253) Show SMILES C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C17H15FN4O2/c1-11(24-14-10-6-5-9-13(14)18)16(23)20-17-19-15(21-22-17)12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,20,21,22,23)/t11-/m1/s1	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	1.00E+3	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 A3 (Homo sapiens (Human))	BDBM50392807 (CHEMBL2151253) Show SMILES C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C17H15FN4O2/c1-11(24-14-10-6-5-9-13(14)18)16(23)20-17-19-15(21-22-17)12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,20,21,22,23)/t11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50392807 (CHEMBL2151253) Show SMILES C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C17H15FN4O2/c1-11(24-14-10-6-5-9-13(14)18)16(23)20-17-19-15(21-22-17)12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,20,21,22,23)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	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