BDBM50064621 CHEMBL3403729

SMILES: CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2CCCCc12

InChI Key: InChIKey=UPSIRQTVGYTHEF-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 = 50064621   

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 A3 (Homo sapiens (Human))	BDBM50064621 (CHEMBL3403729) Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2CCCCc12 Show InChI InChI=1S/C24H28N4O3S2/c1-5-31-23(30)18-16-8-6-7-9-17(16)32-22(18)27-21(29)19-20(28(3)4)26-24(33-19)25-15-12-10-14(2)11-13-15/h10-13H,5-9H2,1-4H3,(H,25,26)(H,27,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.71E+3	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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064621 (CHEMBL3403729) Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2CCCCc12 Show InChI InChI=1S/C24H28N4O3S2/c1-5-31-23(30)18-16-8-6-7-9-17(16)32-22(18)27-21(29)19-20(28(3)4)26-24(33-19)25-15-12-10-14(2)11-13-15/h10-13H,5-9H2,1-4H3,(H,25,26)(H,27,29)	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	1.80E+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))	BDBM50064621 (CHEMBL3403729) Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2CCCCc12 Show InChI InChI=1S/C24H28N4O3S2/c1-5-31-23(30)18-16-8-6-7-9-17(16)32-22(18)27-21(29)19-20(28(3)4)26-24(33-19)25-15-12-10-14(2)11-13-15/h10-13H,5-9H2,1-4H3,(H,25,26)(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.35E+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