BDBM50064624 CHEMBL3403732

SMILES: CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N

InChI Key: InChIKey=HNJQGTQYLKHULB-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 = 50064624   

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))	BDBM50064624 (CHEMBL3403732) Show SMILES CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N Show InChI InChI=1S/C22H23N5OS2/c1-13-8-10-14(11-9-13)24-22-25-19(27(2)3)18(30-22)20(28)26-21-16(12-23)15-6-4-5-7-17(15)29-21/h8-11H,4-7H2,1-3H3,(H,24,25)(H,26,28)	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 A3 (Homo sapiens (Human))	BDBM50064624 (CHEMBL3403732) Show SMILES CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N Show InChI InChI=1S/C22H23N5OS2/c1-13-8-10-14(11-9-13)24-22-25-19(27(2)3)18(30-22)20(28)26-21-16(12-23)15-6-4-5-7-17(15)29-21/h8-11H,4-7H2,1-3H3,(H,24,25)(H,26,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50064624 (CHEMBL3403732) Show SMILES CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N Show InChI InChI=1S/C22H23N5OS2/c1-13-8-10-14(11-9-13)24-22-25-19(27(2)3)18(30-22)20(28)26-21-16(12-23)15-6-4-5-7-17(15)29-21/h8-11H,4-7H2,1-3H3,(H,24,25)(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	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