BDBM50247453 CHEMBL4103712

SMILES: O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12

InChI Key: InChIKey=HKSFAGXGJFDWRL-KWGHVAAJSA-N

Data: 3 KI  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 5 hits for monomerid = 50247453   

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))	BDBM50247453 (CHEMBL4103712) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C14H17Cl2N5O4/c15-3-7-9(22)10(23)13(25-7)21-5-17-8-11(18-6-1-2-24-4-6)19-14(16)20-12(8)21/h5-7,9-10,13,22-23H,1-4H2,(H,18,19,20)/t6-,7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.5	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))	BDBM50247453 (CHEMBL4103712) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C14H17Cl2N5O4/c15-3-7-9(22)10(23)13(25-7)21-5-17-8-11(18-6-1-2-24-4-6)19-14(16)20-12(8)21/h5-7,9-10,13,22-23H,1-4H2,(H,18,19,20)/t6-,7-,9-,10-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.10E+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]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))	BDBM50247453 (CHEMBL4103712) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C14H17Cl2N5O4/c15-3-7-9(22)10(23)13(25-7)21-5-17-8-11(18-6-1-2-24-4-6)19-14(16)20-12(8)21/h5-7,9-10,13,22-23H,1-4H2,(H,18,19,20)/t6-,7-,9-,10-,13-/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	8.68E+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))	BDBM50247453 (CHEMBL4103712) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C14H17Cl2N5O4/c15-3-7-9(22)10(23)13(25-7)21-5-17-8-11(18-6-1-2-24-4-6)19-14(16)20-12(8)21/h5-7,9-10,13,22-23H,1-4H2,(H,18,19,20)/t6-,7-,9-,10-,13-/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	54	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 A2b (Homo sapiens (Human))	BDBM50247453 (CHEMBL4103712) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C14H17Cl2N5O4/c15-3-7-9(22)10(23)13(25-7)21-5-17-8-11(18-6-1-2-24-4-6)19-14(16)20-12(8)21/h5-7,9-10,13,22-23H,1-4H2,(H,18,19,20)/t6-,7-,9-,10-,13-/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	2.00E+4	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