null

SMILES: O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1

InChI Key: InChIKey=QGEFGRKOALZSHD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50336988   

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 A2b (Homo sapiens (Human))	BDBM50336988 (2-Cyclopentyl-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin...) Show SMILES O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H20N4O2/c25-18(12-14-4-1-2-5-14)23-17-13-22-19(15-7-9-21-10-8-15)20(24-17)16-6-3-11-26-16/h3,6-11,13-14H,1-2,4-5,12H2,(H,23,24,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50336988 (2-Cyclopentyl-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin...) Show SMILES O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H20N4O2/c25-18(12-14-4-1-2-5-14)23-17-13-22-19(15-7-9-21-10-8-15)20(24-17)16-6-3-11-26-16/h3,6-11,13-14H,1-2,4-5,12H2,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50336988 (2-Cyclopentyl-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin...) Show SMILES O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H20N4O2/c25-18(12-14-4-1-2-5-14)23-17-13-22-19(15-7-9-21-10-8-15)20(24-17)16-6-3-11-26-16/h3,6-11,13-14H,1-2,4-5,12H2,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair