BDBM50375504 CHEMBL259704

SMILES: O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1

InChI Key: InChIKey=DJXZJUCLYUCBCO-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 = 50375504   

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))	BDBM50375504 (CHEMBL259704) Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-23(27-22(28)18-13-7-8-14-18)26-21(19)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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))	BDBM50375504 (CHEMBL259704) Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-23(27-22(28)18-13-7-8-14-18)26-21(19)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2,(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	159	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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375504 (CHEMBL259704) Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-23(27-22(28)18-13-7-8-14-18)26-21(19)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of CPA-induced decrease in forskolin-stimulated cAMP production...				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