BDBM50200983 CHEMBL3981924::US10138212, Example 57

SMILES: Nc1nc(C(=O)NCc2cccc(CO)n2)c2cccc(F)c2n1

InChI Key: InChIKey=PPOKTFIYGXDKBM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50200983   

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))	BDBM50200983 (CHEMBL3981924 | US10138212, Example 57) Show SMILES Nc1nc(C(=O)NCc2cccc(CO)n2)c2cccc(F)c2n1 Show InChI InChI=1S/C16H14FN5O2/c17-12-6-2-5-11-13(12)21-16(18)22-14(11)15(24)19-7-9-3-1-4-10(8-23)20-9/h1-6,23H,7-8H2,(H,19,24)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50200983 (CHEMBL3981924 | US10138212, Example 57) Show SMILES Nc1nc(C(=O)NCc2cccc(CO)n2)c2cccc(F)c2n1 Show InChI InChI=1S/C16H14FN5O2/c17-12-6-2-5-11-13(12)21-16(18)22-14(11)15(24)19-7-9-3-1-4-10(8-23)20-9/h1-6,23H,7-8H2,(H,19,24)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...				ACS Med Chem Lett 7: 1014-1015 (2016) Article DOI: 10.1021/acsmedchemlett.6b00407 BindingDB Entry DOI: 10.7270/Q2H9976C
					More data for this Ligand-Target Pair