BDBM50201009 CHEMBL3971217::US10138212, Example 14

SMILES: COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(CO)n1

InChI Key: InChIKey=KRGXVVXVTOBVEQ-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 = 50201009   

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))	BDBM50201009 (CHEMBL3971217 | US10138212, Example 14) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(CO)n1 Show InChI InChI=1S/C17H17N5O3/c1-25-13-7-3-6-12-14(13)21-17(18)22-15(12)16(24)19-8-10-4-2-5-11(9-23)20-10/h2-7,23H,8-9H2,1H3,(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 Similars	US Patent	4.60	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))	BDBM50201009 (CHEMBL3971217 | US10138212, Example 14) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(CO)n1 Show InChI InChI=1S/C17H17N5O3/c1-25-13-7-3-6-12-14(13)21-17(18)22-15(12)16(24)19-8-10-4-2-5-11(9-23)20-10/h2-7,23H,8-9H2,1H3,(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 Similars	Article PubMed	4.60	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