BDBM50124119 5-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-3-fluoro-4-hydroxy-N-methyltetrahydrofuran-2-carboxamide::CHEMBL436255

SMILES: CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key: InChIKey=DTURSQNWTZDPMO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50124119   

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))	BDBM50124119 (5-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) Show SMILES CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H17ClFIN6O3/c1-22-16(29)13-10(20)12(28)17(30-13)27-7-24-11-14(25-18(19)26-15(11)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,10,12-13,17,28H,6H2,1H3,(H,22,29)(H,23,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor in CHO cells (hA3)				Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50124119 (5-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) Show SMILES CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H17ClFIN6O3/c1-22-16(29)13-10(20)12(28)17(30-13)27-7-24-11-14(25-18(19)26-15(11)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,10,12-13,17,28H,6H2,1H3,(H,22,29)(H,23,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	406	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor in CHO cells (hA3)				Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50124119 (5-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) Show SMILES CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H17ClFIN6O3/c1-22-16(29)13-10(20)12(28)17(30-13)27-7-24-11-14(25-18(19)26-15(11)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,10,12-13,17,28H,6H2,1H3,(H,22,29)(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat brain membrane				Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50124119 (5-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) Show SMILES CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H17ClFIN6O3/c1-22-16(29)13-10(20)12(28)17(30-13)27-7-24-11-14(25-18(19)26-15(11)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,10,12-13,17,28H,6H2,1H3,(H,22,29)(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PIA from Adenosine A1 receptor in rat brain membrane				Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50124119 (5-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) Show SMILES CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H17ClFIN6O3/c1-22-16(29)13-10(20)12(28)17(30-13)27-7-24-11-14(25-18(19)26-15(11)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,10,12-13,17,28H,6H2,1H3,(H,22,29)(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PIA from Adenosine A1 receptor in rat brain membrane				Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus (rat))	BDBM50124119 (5-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) Show SMILES CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H17ClFIN6O3/c1-22-16(29)13-10(20)12(28)17(30-13)27-7-24-11-14(25-18(19)26-15(11)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,10,12-13,17,28H,6H2,1H3,(H,22,29)(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat brain membrane				Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7
					More data for this Ligand-Target Pair