BDBM50375533 CHEMBL263643

SMILES: CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=BPIKXQYCIFKGEK-LSCFUAHRSA-N

Data: 4 KI  1 IC50  1 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 = 50375533   

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 (Rattus norvegicus (rat))	BDBM50375533 (CHEMBL263643) Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C17H25N5O3S/c1-2-26-7-11-13(23)14(24)17(25-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP				J Med Chem 41: 102-8 (1998) Article DOI: 10.1021/jm970508l BindingDB Entry DOI: 10.7270/Q2MK6DKX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50375533 (CHEMBL263643) Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C17H25N5O3S/c1-2-26-7-11-13(23)14(24)17(25-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.				J Med Chem 41: 102-8 (1998) Article DOI: 10.1021/jm970508l BindingDB Entry DOI: 10.7270/Q2MK6DKX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375533 (CHEMBL263643) Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C17H25N5O3S/c1-2-26-7-11-13(23)14(24)17(25-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells				Bioorg Med Chem 16: 1861-73 (2008) Article DOI: 10.1016/j.bmc.2007.11.010 BindingDB Entry DOI: 10.7270/Q29K4C44
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50375533 (CHEMBL263643) Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C17H25N5O3S/c1-2-26-7-11-13(23)14(24)17(25-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2A receptor using [3H]-CGS- 21680 as the radioligand in rat striatal membranes				J Med Chem 41: 102-8 (1998) Article DOI: 10.1021/jm970508l BindingDB Entry DOI: 10.7270/Q2MK6DKX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50375533 (CHEMBL263643) Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C17H25N5O3S/c1-2-26-7-11-13(23)14(24)17(25-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	127	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Effective concentration for [35S]GTP-gamma-S, binding to adenosine A1 receptor in rat brain membranes				J Med Chem 41: 102-8 (1998) Article DOI: 10.1021/jm970508l BindingDB Entry DOI: 10.7270/Q2MK6DKX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375533 (CHEMBL263643) Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C17H25N5O3S/c1-2-26-7-11-13(23)14(24)17(25-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells				Bioorg Med Chem 16: 1861-73 (2008) Article DOI: 10.1016/j.bmc.2007.11.010 BindingDB Entry DOI: 10.7270/Q29K4C44
					More data for this Ligand-Target Pair