BDBM50369625 CHEMBL1790715

SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12

InChI Key: InChIKey=YVCDHVIJLXJZCD-BFHYXJOUSA-N

Data: 2 KI  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 3 hits for monomerid = 50369625   

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))	BDBM50369625 (CHEMBL1790715) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12 Show InChI InChI=1S/C17H25N5O3/c23-8-13-12(24)7-14(25-13)22-10-20-15-16(18-9-19-17(15)22)21-11-5-3-1-2-4-6-11/h9-14,23-24H,1-8H2,(H,18,19,21)/t12-,13+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	769	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50369625 (CHEMBL1790715) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12 Show InChI InChI=1S/C17H25N5O3/c23-8-13-12(24)7-14(25-13)22-10-20-15-16(18-9-19-17(15)22)21-11-5-3-1-2-4-6-11/h9-14,23-24H,1-8H2,(H,18,19,21)/t12-,13+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50369625 (CHEMBL1790715) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12 Show InChI InChI=1S/C17H25N5O3/c23-8-13-12(24)7-14(25-13)22-10-20-15-16(18-9-19-17(15)22)21-11-5-3-1-2-4-6-11/h9-14,23-24H,1-8H2,(H,18,19,21)/t12-,13+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair