BDBM50266441 CHEMBL515344::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-hydroxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide

SMILES: CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1CO

InChI Key: InChIKey=IHVOVVIHCKVZED-ZDUSSCGKSA-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 = 50266441   

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))	BDBM50266441 (CHEMBL515344 | N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C16H22N6O2/c1-10-7-11(2)22(20-10)16-18-14(17-12(3)24)8-15(19-16)21-6-4-5-13(21)9-23/h7-8,13,23H,4-6,9H2,1-3H3,(H,17,18,19,24)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				J Med Chem 52: 709-17 (2009) Article DOI: 10.1021/jm800908d BindingDB Entry DOI: 10.7270/Q2PG1RKR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266441 (CHEMBL515344 | N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C16H22N6O2/c1-10-7-11(2)22(20-10)16-18-14(17-12(3)24)8-15(19-16)21-6-4-5-13(21)9-23/h7-8,13,23H,4-6,9H2,1-3H3,(H,17,18,19,24)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells				J Med Chem 52: 709-17 (2009) Article DOI: 10.1021/jm800908d BindingDB Entry DOI: 10.7270/Q2PG1RKR
					More data for this Ligand-Target Pair