BDBM50190443 1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-4-yl-urea::CHEMBL377248

SMILES: O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=KEOFEPBQPNRHDK-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 = 50190443   

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))	BDBM50190443 (1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[...) Show SMILES O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C25H21N9O3/c35-25(27-18-8-10-26-11-9-18)30-24-29-21-19(23-28-22(32-34(23)24)20-7-4-13-37-20)15-33(31-21)12-14-36-16-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H2,26,27,29,30,31,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 4085-97 (2006) Article DOI: 10.1021/jm051112+ BindingDB Entry DOI: 10.7270/Q2KK9BC7
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50190443 (1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[...) Show SMILES O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C25H21N9O3/c35-25(27-18-8-10-26-11-9-18)30-24-29-21-19(23-28-22(32-34(23)24)20-7-4-13-37-20)15-33(31-21)12-14-36-16-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H2,26,27,29,30,31,35)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]MRE 2029F20 from human adenosine A2B receptor expressed in CHO cells				J Med Chem 49: 4085-97 (2006) Article DOI: 10.1021/jm051112+ BindingDB Entry DOI: 10.7270/Q2KK9BC7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50190443 (1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[...) Show SMILES O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C25H21N9O3/c35-25(27-18-8-10-26-11-9-18)30-24-29-21-19(23-28-22(32-34(23)24)20-7-4-13-37-20)15-33(31-21)12-14-36-16-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H2,26,27,29,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells				J Med Chem 49: 4085-97 (2006) Article DOI: 10.1021/jm051112+ BindingDB Entry DOI: 10.7270/Q2KK9BC7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50190443 (1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[...) Show SMILES O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C25H21N9O3/c35-25(27-18-8-10-26-11-9-18)30-24-29-21-19(23-28-22(32-34(23)24)20-7-4-13-37-20)15-33(31-21)12-14-36-16-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H2,26,27,29,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 4085-97 (2006) Article DOI: 10.1021/jm051112+ BindingDB Entry DOI: 10.7270/Q2KK9BC7
					More data for this Ligand-Target Pair