BDBM50064627 CHEMBL3403735

SMILES: Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1

InChI Key: InChIKey=GJFKAFOYEBYJPS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50064627   

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))	BDBM50064627 (CHEMBL3403735) Show SMILES Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1 Show InChI InChI=1S/C27H24N4OS2/c1-16-7-11-18(12-8-16)23-24(34-27(30-23)29-19-13-9-17(2)10-14-19)25(32)31-26-21(15-28)20-5-3-4-6-22(20)33-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem Lett 25: 1306-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.040 BindingDB Entry DOI: 10.7270/Q2QN68GJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50064627 (CHEMBL3403735) Show SMILES Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1 Show InChI InChI=1S/C27H24N4OS2/c1-16-7-11-18(12-8-16)23-24(34-27(30-23)29-19-13-9-17(2)10-14-19)25(32)31-26-21(15-28)20-5-3-4-6-22(20)33-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 25: 1306-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.040 BindingDB Entry DOI: 10.7270/Q2QN68GJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50064627 (CHEMBL3403735) Show SMILES Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1 Show InChI InChI=1S/C27H24N4OS2/c1-16-7-11-18(12-8-16)23-24(34-27(30-23)29-19-13-9-17(2)10-14-19)25(32)31-26-21(15-28)20-5-3-4-6-22(20)33-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 25: 1306-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.040 BindingDB Entry DOI: 10.7270/Q2QN68GJ
					More data for this Ligand-Target Pair