BDBM50125910 1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL22113

SMILES: COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1

InChI Key: InChIKey=GJFVCSIWUJNFMJ-UHFFFAOYSA-N

Data: 4 KI  2 IC50

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 6 hits for monomerid = 50125910   

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))	BDBM50125910 (1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]- SCH-58261 binding at human Adenosine A2A receptor expressed in CHO cells				J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50125910 (1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]- DPCPX from human adenosine A2B receptor expressed in HEK293 cells				J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (human))	BDBM50125910 (1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]- DPCPX binding at human Adenosine A1 receptor expressed in CHO cells				J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (human))	BDBM50125910 (1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	212	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]- MRE 308F20 binding from human Adenosine A3 receptor expressed in CHO cells				J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (human))	BDBM50125910 (1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	813	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity as inhibition of cAMP generation after agonist-modulation of Adenosine A3 receptor with 100 nM CI-IB-MECA				J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (human))	BDBM50125910 (1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity as inhibition of cAMP generation after agonist-modulation of human Adenosine A2A receptor with 100 nM NECA				J Med Chem 46: 1229-41 (2003) Article DOI: 10.1021/jm021023m BindingDB Entry DOI: 10.7270/Q28916KP
					More data for this Ligand-Target Pair