BDBM50375496 CHEMBL258989

SMILES: CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1

InChI Key: InChIKey=GIBHMVZSUVKWMF-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 = 50375496   

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 A1 (Homo sapiens (Human))	BDBM50375496 (CHEMBL258989) Show SMILES CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O/c1-3-16(4-2)22(28)27-23-25-20(17-11-7-5-8-12-17)19(15-24)21(26-23)18-13-9-6-10-14-18/h5-14,16H,3-4H2,1-2H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375496 (CHEMBL258989) Show SMILES CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O/c1-3-16(4-2)22(28)27-23-25-20(17-11-7-5-8-12-17)19(15-24)21(26-23)18-13-9-6-10-14-18/h5-14,16H,3-4H2,1-2H3,(H,25,26,27,28)	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	54.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
					More data for this Ligand-Target Pair