BDBM50139836 CHEMBL3763969

SMILES: Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)N2CCCc3ccccc23)c2cccc(F)c2n1

InChI Key: InChIKey=WKZDIXJLBNRISL-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 = 50139836   

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))	BDBM50139836 (CHEMBL3763969) Show SMILES Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)N2CCCc3ccccc23)c2cccc(F)c2n1 Show InChI InChI=1S/C29H23FN6O2/c30-22-11-4-10-21-25(22)34-29(31)35-26(21)27(37)33-15-19-8-3-7-18-14-20(16-32-24(18)19)28(38)36-13-5-9-17-6-1-2-12-23(17)36/h1-4,6-8,10-12,14,16H,5,9,13,15H2,(H,33,37)(H2,31,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human adenosine A2A receptor expressed in HEK cell membranes after 60 mins by microplate scintillation counting an...				Bioorg Med Chem Lett 26: 1348-54 (2016) BindingDB Entry DOI: 10.7270/Q2S46TT3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50139836 (CHEMBL3763969) Show SMILES Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)N2CCCc3ccccc23)c2cccc(F)c2n1 Show InChI InChI=1S/C29H23FN6O2/c30-22-11-4-10-21-25(22)34-29(31)35-26(21)27(37)33-15-19-8-3-7-18-14-20(16-32-24(18)19)28(38)36-13-5-9-17-6-1-2-12-23(17)36/h1-4,6-8,10-12,14,16H,5,9,13,15H2,(H,33,37)(H2,31,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 60 mins by microplate scintillation counting analysi...				Bioorg Med Chem Lett 26: 1348-54 (2016) BindingDB Entry DOI: 10.7270/Q2S46TT3
					More data for this Ligand-Target Pair