BDBM50189099 CHEMBL3828479

SMILES: COc1cc(Nc2nc3c(ncnc3s2)N2CCCC2)cc(OC)c1OC

InChI Key: InChIKey=NICBIAZGYVMWPV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50189099   

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))	BDBM50189099 (CHEMBL3828479) Show SMILES COc1cc(Nc2nc3c(ncnc3s2)N2CCCC2)cc(OC)c1OC Show InChI InChI=1S/C18H21N5O3S/c1-24-12-8-11(9-13(25-2)15(12)26-3)21-18-22-14-16(23-6-4-5-7-23)19-10-20-17(14)27-18/h8-10H,4-7H2,1-3H3,(H,21,22)	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	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting...				J Med Chem 59: 5922-8 (2016) BindingDB Entry DOI: 10.7270/Q2P84DV8
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50189099 (CHEMBL3828479) Show SMILES COc1cc(Nc2nc3c(ncnc3s2)N2CCCC2)cc(OC)c1OC Show InChI InChI=1S/C18H21N5O3S/c1-24-12-8-11(9-13(25-2)15(12)26-3)21-18-22-14-16(23-6-4-5-7-23)19-10-20-17(14)27-18/h8-10H,4-7H2,1-3H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...				J Med Chem 59: 5922-8 (2016) BindingDB Entry DOI: 10.7270/Q2P84DV8
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50189099 (CHEMBL3828479) Show SMILES COc1cc(Nc2nc3c(ncnc3s2)N2CCCC2)cc(OC)c1OC Show InChI InChI=1S/C18H21N5O3S/c1-24-12-8-11(9-13(25-2)15(12)26-3)21-18-22-14-16(23-6-4-5-7-23)19-10-20-17(14)27-18/h8-10H,4-7H2,1-3H3,(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...				J Med Chem 59: 5922-8 (2016) BindingDB Entry DOI: 10.7270/Q2P84DV8
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50189099 (CHEMBL3828479) Show SMILES COc1cc(Nc2nc3c(ncnc3s2)N2CCCC2)cc(OC)c1OC Show InChI InChI=1S/C18H21N5O3S/c1-24-12-8-11(9-13(25-2)15(12)26-3)21-18-22-14-16(23-6-4-5-7-23)19-10-20-17(14)27-18/h8-10H,4-7H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting ...				J Med Chem 59: 5922-8 (2016) BindingDB Entry DOI: 10.7270/Q2P84DV8
					More data for this Ligand-Target Pair