BDBM50247455 CHEMBL4098408

SMILES: O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12

InChI Key: InChIKey=DQQRUZXAWKTVAO-XNIJJKJLSA-N

Data: 3 KI  1 IC50  2 EC50

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 = 50247455   

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 A1 (Homo sapiens (Human))	BDBM50247455 (CHEMBL4098408) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r| Show InChI InChI=1S/C16H14Cl2FN5O3/c17-4-10-12(25)13(26)16(27-10)24-6-22-11-14(20-5-21-15(11)24)23-9-2-1-7(18)3-8(9)19/h1-3,5-6,10,12-13,16,25-26H,4H2,(H,20,21,23)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247455 (CHEMBL4098408) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r| Show InChI InChI=1S/C16H14Cl2FN5O3/c17-4-10-12(25)13(26)16(27-10)24-6-22-11-14(20-5-21-15(11)24)23-9-2-1-7(18)3-8(9)19/h1-3,5-6,10,12-13,16,25-26H,4H2,(H,20,21,23)/t10-,12-,13-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247455 (CHEMBL4098408) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r| Show InChI InChI=1S/C16H14Cl2FN5O3/c17-4-10-12(25)13(26)16(27-10)24-6-22-11-14(20-5-21-15(11)24)23-9-2-1-7(18)3-8(9)19/h1-3,5-6,10,12-13,16,25-26H,4H2,(H,20,21,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247455 (CHEMBL4098408) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r| Show InChI InChI=1S/C16H14Cl2FN5O3/c17-4-10-12(25)13(26)16(27-10)24-6-22-11-14(20-5-21-15(11)24)23-9-2-1-7(18)3-8(9)19/h1-3,5-6,10,12-13,16,25-26H,4H2,(H,20,21,23)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Agonist activity at recombinant human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of adenylyl cyclase activity in p...				J Med Chem 61: 305-318 (2018) BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247455 (CHEMBL4098408) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r| Show InChI InChI=1S/C16H14Cl2FN5O3/c17-4-10-12(25)13(26)16(27-10)24-6-22-11-14(20-5-21-15(11)24)23-9-2-1-7(18)3-8(9)19/h1-3,5-6,10,12-13,16,25-26H,4H2,(H,20,21,23)/t10-,12-,13-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A3 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated adenyly...				J Med Chem 61: 305-318 (2018) BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50247455 (CHEMBL4098408) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r| Show InChI InChI=1S/C16H14Cl2FN5O3/c17-4-10-12(25)13(26)16(27-10)24-6-22-11-14(20-5-21-15(11)24)23-9-2-1-7(18)3-8(9)19/h1-3,5-6,10,12-13,16,25-26H,4H2,(H,20,21,23)/t10-,12-,13-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Agonist activity at recombinant human adenosine A2B receptor expressed in CHO cell membranes assessed as stimulation of adenylyl cyclase activity in ...				J Med Chem 61: 305-318 (2018) BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair